SCHEMBL4398094

SCHEMBL4398094

COc1ccc(F)c(C(=O)O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FABP4 P15090 1/20 0.43
CLCN2 P51788 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
TPMT P51580 1/20 0.42
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL4412234 0.86 RAB9A (0.44) RAB9ALMNAMAPK1HTTCA12
SCHEMBL8262561 0.86 RAB9A (0.42) RAB9ALMNAMAPK1HTTCA9
SCHEMBL24923 0.86 RAB9A (0.42) RAB9ALMNAMAPK1HTTALDH1A1
SCHEMBL202632 0.84 POLB (0.46) RAB9ALMNAMAPK1HTTALDH1A1
SCHEMBL201405 0.81 LMNA (0.53) RAB9ALMNAMAPK1HTTCA12
SCHEMBL29792549 0.81 LMNA (0.53) RAB9ALMNAMAPK1HTTCA12
SCHEMBL8564952 0.81 ALDH1A1 (0.61) RAB9ALMNAMAPK1HTTCA12
SCHEMBL24717393 0.80 RAB9A (0.51) RAB9ALMNAMAPK1HTTCA12
SCHEMBL4501917 0.80 HTT (0.51) RAB9ALMNAMAPK1HTTCA12
SCHEMBL22993287 0.79 CA12 (0.48) RAB9ALMNAMAPK1HTTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS BLADE THERAPEUTICS INC (US) 2022-11-03 US disclosed
US-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-11-11 US disclosed
EP-3339303-B9 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2021-07-21 EP disclosed
EP-3339303-B9 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2021-07-21 EP disclosed
EP-3820864-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS Blade Therapeutics, Inc. (US) 2021-05-19 EP disclosed
CN-112703188-A Method for treating liver fibrosis using calpain inhibitor 布莱德治疗公司 2021-04-23 CN disclosed
EP-3339303-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2020-06-24 EP disclosed
EP-3339303-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2020-06-24 EP disclosed
US-20190307766-A1 CYCLIC AMINES MINDIMMUNE THERAPEUTICS, INC. 2019-10-10 US disclosed
EP-3536689-A1 2-(CYCLIC AMINEETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS MindImmune Therapeutics, Inc. (US) 2019-09-11 EP disclosed
EP-1853600-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-11-14 EP disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
WO-2006077419-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077419-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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 (4 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-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPN1, CAPNS1, CAPN2 RAB9A 2693/4885LMNA 663/4885MAPK1 2688/4885
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 RAB9A 2764/4885LMNA 829/4885MAPK1 3657/4885
US-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 RAB9A 3575/4885LMNA 2809/4885MAPK1 91/4885
US-20190307766-A1 CYCLIC AMINES P2RX7, ADORA2A, P2RX2 RAB9A 2943/4885LMNA 2464/4885MAPK1 1527/4885

“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.