SCHEMBL3208272

SCHEMBL3208272

O=C(O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ACE P12821 4/20 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
SCHEMBL1000224 1.00 NPC1 (0.54) NPC1RAB9AL3MBTL1ACE
SCHEMBL24582713 1.00 NPC1 (0.54) NPC1RAB9AL3MBTL1ACE
SCHEMBL12474768 0.88 NPC1 (0.51) NPC1RAB9AL3MBTL1ACE
SCHEMBL5764293 0.87 DRD2 (0.53) NPC1RAB9AL3MBTL1ACE
SCHEMBL4513851 0.87 NPC1 (0.59) NPC1RAB9AL3MBTL1ACE
SCHEMBL4524476 0.87 NPC1 (0.59) NPC1RAB9AL3MBTL1ACE
SCHEMBL4513846 0.87 NPC1 (0.59) NPC1RAB9AL3MBTL1ACE
SCHEMBL7036798 0.86 PTPN1 (0.52) NPC1RAB9AL3MBTL1
SCHEMBL7310845 0.85 NPC1 (0.48) NPC1RAB9AL3MBTL1
SCHEMBL7038704 0.84 LMNA (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081987-A2 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION USING NOVEL ONIUM SALT AND RESIST PATTERN FORMING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2016-10-19 EP disclosed
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 US disclosed
CN-101679454-A Antimicrobial heterocyclic compounds for treatment of bacterial infections MICURX PHARMACEUTICALS INC 2010-03-24 CN disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-5736518-A Peptide compounds of (L) amino acids and ring molecules, and therapeutical applications thereof POLIFARMA S.P.A. (IT) 1998-04-07 US disclosed
EP-0503044-B1 PEPTIDE COMPOUNDS OF LAEVOROTATORY AMINO ACIDS AND RING MOLECULES, AND THERAPEUTICAL APPLICATIONS THEREOF POLIFARMA SPA (IT) 1996-06-12 EP disclosed
US-5504071-A HYPOTENSIVE AGENTS POLIFARMA S.P.A. (IT) 1996-04-02 US disclosed
EP-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP disclosed
EP-0503044-A1 PEPTIDE COMPOUNDS OF LAEVOROTATORY AMINO ACIDS AND RING MOLECULES, AND THERAPEUTICAL APPLICATIONS THEREOF. POLIFARMA SPA (IT) 1992-09-16 EP disclosed
WO-1992006108-A1 PEPTIDE COMPOUNDS OF LAEVOROTATORY AMINO ACIDS AND RING MOLECULES, AND THERAPEUTICAL APPLICATIONS THEREOF POLIFARMA S.P.A. (IT) 1992-04-16 WO disclosed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed
EP-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 EP disclosed
US-4697016-A Intermediates for the preparation of a carboxylic acid CIBA-GEIGY CORPORATION (US) 1987-09-29 US disclosed
US-4595766-A Process for the preparation of an indoline carboxylic acid CIBA-GEIGY CORPORATION (US) 1986-06-17 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-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 NPC1 2331/4885RAB9A 3658/4885L3MBTL1 1228/4885
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT NPC1 1168/4885RAB9A 1349/4885L3MBTL1 3059/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 NPC1 981/4885RAB9A 1092/4885L3MBTL1 70/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 NPC1 515/4885RAB9A 1343/4885L3MBTL1 3076/4885

“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.