SCHEMBL3198336

SCHEMBL3198336

NC(CNc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
LTA4H P09960 1/20 0.50
CASR P41180 2/20 0.49
KIF11 P52732 3/20 0.49
SLC1A3 P43003 3/20 0.47
SLC1A2 P43004 3/20 0.47
SLC1A1 P43005 3/20 0.47
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1339972 1.00 ALPI (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9404761 0.83 GRIK1 (0.46) KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL27734502 0.83 KIF11 (0.49) CASRKIF11MAPT
SCHEMBL27734503 0.83 KIF11 (0.49) CASRKIF11MAPT
SCHEMBL5406733 0.82 MAPT (0.51) LTA4HKIF11MAPT
SCHEMBL5406742 0.82 MAPT (0.51) LTA4HKIF11MAPT
SCHEMBL15547748 0.81 SLC1A3 (0.56) KIF11SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL29462213 0.81 SLC1A3 (0.56) KIF11SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL20704782 0.81 SLC1A3 (0.56) KIF11SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL29480617 0.81 SLC1A3 (0.56) KIF11SLC1A3SLC1A2SLC1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261601-B1 SUBSTITUTED INDOLES FOR MODULATING NFKB ACTIVITY SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP claimed
EP-1194425-B1 SUBSTITUTED BENZIMIDAZOLE AVENTIS PHARMA GMBH (DE) 2005-08-10 EP claimed
EP-1531819-A1 USE OF I kappa B KINASE INHIBITORS FOR THE TREATMENT OF PAIN Aventis Pharma Deutschland GmbH (DE) 2005-05-25 EP claimed
CN-1172929-C substituted indoles ���ĵ�˹ҩ��¹����޹�˾ 2004-10-27 CN claimed
CN-1168727-C Substituted benzimidazole ���ĵ�˹ҩ��¹����޹�˾ 2004-09-29 CN claimed
US-20040116494-A1 Use of IkappaB-kinase inhibitors in pain therapy AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 US claimed
WO-2004022057-A1 USE OF IκB KINASE INHIBITORS FOR THE TREATMENT OF PAIN AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-18 WO claimed
US-6358978-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS (IN THE CASE OF INFLAMMATION), OSTEOARTHRITIS, ASTHMA, CARDIAC INFARCT, ALZHEIMER'S DISEASE, OR ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-19 US claimed
EP-2104497-B1 SULFAMIDE DERIVATIVES AS TAFIA INHIBITORS SANOFI SA (FR) 2015-02-25 EP disclosed
US-8809358-B2 Use of IκB-kinase inhibitors in pain therapy SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-08-19 US disclosed
US-8389764-B2 Urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-03-05 US disclosed
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2104497-A2 UREA AND SULFAMIDE DERIVATIVES AS TAFIA INHIBITORS Sanofi-Aventis (FR) 2009-09-30 EP disclosed
EP-1261601-B1 SUBSTITUTED INDOLES FOR MODULATING NFKB ACTIVITY SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed
CN-1379772-A Substituted indoles for modulating NF kappa B activity AVENTIS PHARMA GMBH (DE) 2002-11-13 CN disclosed
CN-1356995-A Substituted benzimidazole AVENTIS PHARMA GMBH (DE) 2002-07-03 CN disclosed
EP-1194425-A1 SUBSTITUTED BENZIMIDAZOLE Aventis Pharma Deutschland GmbH (DE) 2002-04-10 EP disclosed
US-6358978-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS (IN THE CASE OF INFLAMMATION), OSTEOARTHRITIS, ASTHMA, CARDIAC INFARCT, ALZHEIMER'S DISEASE, OR ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-19 US disclosed
WO-2001030774-A1 SUBSTITUTED INDOLES FOR MODULATING NFKB ACTIVITY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-03 WO disclosed
WO-2001000610-A1 SUBSTITUTED BENZIMIDAZOLE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-04 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 (1 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-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINE1 ALPI 1385/4885PKM 2526/4885PTGS1 392/4885

“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.