SCHEMBL172763

SCHEMBL172763

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.44
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
NOTUM Q6P988 1/20 0.39
ACHE P22303 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
MAPT P10636 1/20 0.35
ADCY8 P40145 1/20 0.35
ADCY1 Q08828 1/20 0.35
CES2 O00748 1/20 0.34
KIF11 P52732 1/20 0.34
IDH1 O75874 1/20 0.34
PTGS2 P35354 1/20 0.34
PTGS1 P23219 1/20 0.34
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL107119 0.84 RAPGEF4 (0.56) RAPGEF4PGK1PGK2NOTUMRXRA
SCHEMBL130017 0.84 RAPGEF4 (0.50) RAPGEF4PGK1PGK2NOTUMTAS2R14
SCHEMBL15147437 0.83 PGK1 (0.38) RAPGEF4PGK1PGK2ACHE
SCHEMBL9693899 0.81 CES2 (0.42) RXRARXRBRXRGCES2
SCHEMBL4461544 0.81 CES2 (0.48) RAPGEF4RXRARXRBRXRGMAPT
SCHEMBL9962278 0.80 POLB (0.41) RAPGEF4PGK1PGK2ACHERXRA
SCHEMBL23507057 0.76 ACHE (0.39) RAPGEF4PGK1PGK2ACHE
SCHEMBL765057 0.76 PGK1 (0.36) RAPGEF4PGK1PGK2ACHERXRA
SCHEMBL26530729 0.76 PGK1 (0.37) PGK1PGK2ACHEIDH1
SCHEMBL3439602 0.75 RAPGEF4 (0.48) RAPGEF4PGK1PGK2NOTUMRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP claimed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US claimed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
WO-2024026128-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026129-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2023239846-A1 HETEROCYCLIC COMPOUNDS AS PI3KΑ INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2023-11-09 US disclosed
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2023-11-09 US disclosed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20060105970-A1 Avermectins substituted in the 4\"-position having pesticidal properties SYNGENTA CROP PROTECTION, INC. 2006-05-18 US disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US disclosed
WO-2006010965-A1 INDOLE-2 -CARBOXAMIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO disclosed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
EP-1389216-A2 AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION HAVING PESTICIDAL PROPERTIES Syngenta Participations AG (CH) 2004-02-18 EP disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 US disclosed
WO-2002068441-A2 AVERMECTINS SUBSTITUTED IN THE 4'-POSITION HAVING PESTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2002-09-06 WO disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO 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 (6 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-20060105970-A1 Avermectins substituted in the 4\"-position having pesticidal properties DDT, C3AR1, C9 RAPGEF4 2266/4885PGK1 4505/4885PGK2 4384/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 RAPGEF4 2769/4885PGK1 2698/4885PGK2 3203/4885
US-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR RAPGEF4 1233/4885PGK1 440/4885PGK2 602/4885
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 RAPGEF4 1878/4885PGK1 3806/4885PGK2 3222/4885
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF FLT3, ABL1, MCL1 RAPGEF4 2592/4885PGK1 2200/4885PGK2 2074/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 RAPGEF4 2986/4885PGK1 3592/4885PGK2 3388/4885

“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.