Sugi Predict

Sugi Predict / Compounds / SCHEMBL6124147

SCHEMBL6124147

SCHEMBL6124147

Cc1cc(C(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 3/20 0.40
▸ NOTUM Q6P988 1/20 0.36
▸ PGK1 P00558 1/20 0.35
▸ PGK2 P07205 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ KLRK1 P26718 1/20 0.33
▸ MICA Q29983 1/20 0.33
▸ RAET1L Q5VY80 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10299204 0.87 RAPGEF4 (0.40) RAPGEF4NOTUMPGK1PGK2SOS1
SCHEMBL437277 0.86 TACR1 (0.42) RAPGEF4TACR1S1PR1IDO1TDO2
SCHEMBL10629252 0.86 TACR1 (0.39) TACR1S1PR1IDO1TDO2PDE2A
SCHEMBL10022973 0.85 RAPGEF4 (0.43) RAPGEF4NOTUMPGK1PGK2SOS1
SCHEMBL22546594 0.85 PGK1 (0.34) PGK1PGK2
SCHEMBL14527939 0.85 RAPGEF4 (0.39) RAPGEF4NOTUMPGK1PGK2SOS1
SCHEMBL26454254 0.84 RAPGEF4 (0.40) RAPGEF4NOTUMPGK1PGK2TACR1
SCHEMBL12052214 0.83 TACR1 (0.43) RAPGEF4NOTUMPGK1PGK2SOS1
SCHEMBL5199897 0.83 PDE2A (0.41) RAPGEF4NOTUMPGK1PGK2SOS1
SCHEMBL12052076 0.83 TACR1 (0.43) RAPGEF4NOTUMPGK1PGK2SOS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 164 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941912-B1 PESTICIDALLY ACTIVE AZOLE AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-12-13 — — EP disclosed
US-11840550-B2 Silyl-biaryl phosphoramidites and methods of making BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 — — US disclosed
US-11840550-B2 Silyl-biaryl phosphoramidites and methods of making BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 — — US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 — — US disclosed
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 — — US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 — — US disclosed
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 — — US disclosed
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-09-14 — — US disclosed
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 — — US disclosed
EP-4215529-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoibio Inc. (KR) 2023-07-26 — — EP disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 — — US disclosed
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 — — US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 — — US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 — — US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 — — US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 — — US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 RAPGEF4 797/4885NOTUM 1318/4885PGK1 2007/4885
US-11840550-B2 Silyl-biaryl phosphoramidites and methods of making PAICS, PGLS, SCLY RAPGEF4 1557/4885NOTUM 2238/4885PGK1 799/4885
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS MYD88, TLR5, TLR8 RAPGEF4 1610/4885NOTUM 3834/4885PGK1 4365/4885
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 RAPGEF4 2088/4885NOTUM 4663/4885PGK1 3841/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 RAPGEF4 2075/4885NOTUM 154/4885PGK1 2489/4885
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS NR3C2, MC2R, NR3C1 RAPGEF4 387/4885NOTUM 3619/4885PGK1 1698/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 RAPGEF4 1175/4885NOTUM 371/4885PGK1 1911/4885
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 RAPGEF4 1404/4885NOTUM 1503/4885PGK1 2236/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 RAPGEF4 784/4885NOTUM 753/4885PGK1 1599/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 RAPGEF4 646/4885NOTUM 3999/4885PGK1 2926/4885
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation COQ8A, TNNT2, TBXA2R RAPGEF4 2573/4885NOTUM 3521/4885PGK1 584/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR RAPGEF4 1672/4885NOTUM 210/4885PGK1 1964/4885
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION MCL1, BAK1, BCL2A1 RAPGEF4 3046/4885NOTUM 3891/4885PGK1 1533/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL RAPGEF4 2351/4885NOTUM 3488/4885PGK1 4102/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 RAPGEF4 797/4885NOTUM 1318/4885PGK1 2007/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 RAPGEF4 814/4885NOTUM 1789/4885PGK1 355/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.