SCHEMBL3756385

SCHEMBL3756385

Cc1ccc(-c2ccc(C(=O)O)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
RAB9A P51151 2/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
HSD17B1 P14061 3/20 0.61
HSD17B2 P37059 3/20 0.61
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
RXFP1 Q9HBX9 1/20 0.58
HPGDS O60760 1/20 0.57
ESRRG P62508 1/20 0.56
HPGD P15428 1/20 0.54
DAO P14920 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
NPC1 O15118 1/20 0.53
GLA P06280 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NR4A2 P43354 1/20 0.53

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
SCHEMBL9910293 0.85 HSD17B1 (0.61) POLBRAB9AMEN1KMT2AHSD17B1
SCHEMBL12348717 0.84 HSD17B1 (0.56) POLBRAB9AMEN1KMT2AHSD17B1
SCHEMBL2491267 0.82 RAB9A (1.00) POLBRAB9AMEN1KMT2AKDM4E
SCHEMBL10963422 0.82 RAB9A (0.72) POLBRAB9AMEN1KMT2AKDM4E
SCHEMBL422509 0.82 RAB9A (0.72) POLBRAB9AMEN1KMT2AKDM4E
SCHEMBL29906336 0.82 RAB9A (0.79) POLBRAB9AMEN1KMT2AKDM4E
SCHEMBL2083801 0.82 MEN1 (0.72) POLBRAB9AMEN1KMT2AHSD17B1
SCHEMBL5842337 0.82 HPGDS (0.69) POLBRAB9AMEN1KMT2AHSD17B1
SCHEMBL1761545 0.82 RAB9A (0.92) POLBRAB9AMEN1KMT2AKDM4E
SCHEMBL24573360 0.81 HDAC1 (0.69) RAB9AHSD17B1HSD17B2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
US-20220202772-A1 COMPOSITIONS AND METHODS FOR INHIBITING RIBOSOME INACTIVATING PROTEINS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2022-06-30 US disclosed
CN-107033095-B The Oxazolidinone derivative of the structure of hydrazone containing piperazine 沈阳红旗制药有限公司 2019-05-07 CN disclosed
CN-105228982-B 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders 拜耳制药股份公司 2018-03-27 CN disclosed
CN-107151255-A Boric acid compound and its production and use 复旦大学 2017-09-12 CN disclosed
CN-107033095-A The Jie Gou oxazolidinone compounds of hydrazone containing piperazine 沈阳红旗制药有限公司 2017-08-11 CN disclosed
CN-105228982-A 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders Bayer Pharma AG 2016-01-06 CN disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 WO disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 US disclosed
EP-0259972-B1 HETEROCYCLIC PROPENE AMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1993-07-14 EP disclosed
EP-0259972-A2 Heterocyclic propene amide derivatives, processes for their preparation and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1988-03-16 EP 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-20220202772-A1 COMPOSITIONS AND METHODS FOR INHIBITING RIBOSOME INACTIVATING PROTEINS RACK1, RRBP1, RPL30 POLB 903/4885RAB9A 1823/4885MEN1 4218/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE POLB 3103/4885RAB9A 3129/4885MEN1 3552/4885
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R POLB 4496/4885RAB9A 1154/4885MEN1 550/4885
US-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK POLB 3466/4885RAB9A 2463/4885MEN1 3793/4885

“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.