Sugi Predict

Sugi Predict / Compounds / SCHEMBL3667517

SCHEMBL3667517

SCHEMBL3667517

CCc1ccc(F)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.40
▸ AGXT P21549 2/20 0.40
▸ RIPK1 Q13546 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL28538413 0.89 IDO1 (0.38) IDO1AGXTRIPK1MAPTPKM
SCHEMBL16587909 0.88 RIPK1 (0.37) IDO1AGXTRIPK1MAPTPKM
SCHEMBL8418213 0.88 RIPK1 (0.37) IDO1AGXTRIPK1MAPTPKM
SCHEMBL3374862 0.86 RIPK1 (0.36) IDO1AGXTRIPK1MAPTPKM
SCHEMBL20831616 0.86 KCNH2 (0.38) IDO1AGXTRIPK1MAPTPKM
SCHEMBL6441169 0.86 MAPT (0.39) IDO1AGXTRIPK1MAPTPKM
SCHEMBL13548272 0.86 MAPT (0.39) IDO1AGXTRIPK1MAPTPKM
SCHEMBL240928 0.86 MPO (0.43) IDO1AGXTRIPK1MAPTPKM
SCHEMBL12525261 0.86 MPO (0.43) IDO1AGXTRIPK1MAPTPKM
SCHEMBL12656571 0.86 MAPT (0.41) IDO1AGXTRIPK1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022268065-A1 COMPOUNDS AS ERK INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2022-12-29 — — WO disclosed
US-20210145812-A1 AMINOAMIDE COMPOUNDS BIOTHERYX, INC. (US) 2021-05-20 — — US disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 — — EP disclosed
EP-3233071-B1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS LLC (US) 2019-09-18 — — EP disclosed
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 — — US disclosed
WO-2017091617-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — WO disclosed
WO-2017091602-A1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — WO disclosed
WO-2017091600-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — WO disclosed
EP-2918588-A1 Macrocyclic compounds as TRK kinase inhibitors Array Biopharma, Inc. (US) 2015-09-16 — — EP disclosed
US-9035056-B2 Pyrido[4,3-b]indole and pyrido[3,4-b]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 — — US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
EP-2155690-B1 INDAZOLAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-03 — — EP disclosed
WO-2011077502-A1 DIHYDROTHIENO[2,3-E]INDAZOLE COMPOUND 杏林製薬株式会社 (JP) 2011-06-30 — — WO disclosed
WO-2011043479-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION 田辺三菱製薬株式会社 (JP) 2011-04-14 — — WO disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 — — EP disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 — — US disclosed
WO-2009133831-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2009-11-05 — — WO disclosed
WO-2009125853-A1 HOMOCYSTEINE SYNTHASE INHIBITOR 田辺三菱製薬株式会社 (JP) 2009-10-15 — — WO disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 — — 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 (3 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-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A IDO1 85/4885AGXT 4000/4885RIPK1 1808/4885
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 IDO1 4681/4885AGXT 4174/4885RIPK1 4500/4885
US-20210145812-A1 AMINOAMIDE COMPOUNDS DNPEP, BCAT2, AADAT IDO1 1772/4885AGXT 118/4885RIPK1 3700/4885

“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.