SCHEMBL3425969

SCHEMBL3425969

CC(NC(=O)c1ccc(Cl)s1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
F2 P00734 1/20 0.52
DAO P14920 1/20 0.52
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
CA2 P00918 3/20 0.46

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
SCHEMBL3425960 1.00 SMN1; SMN2 (0.52) SMN1; SMN2F2DAOMAPK1KDM4E
SCHEMBL13754450 0.84 SMN1; SMN2 (0.59) SMN1; SMN2F2DAOMAPK1KDM4E
SCHEMBL3426918 0.84 F2 (0.53) SMN1; SMN2F2DAOMAPK1KDM4E
SCHEMBL4031357 0.80 ALDH1A1 (0.59) SMN1; SMN2MAPK1ALDH1A1LMNACA2
SCHEMBL4479043 0.80 ALDH1A1 (0.59) SMN1; SMN2MAPK1ALDH1A1LMNACA2
SCHEMBL3424517 0.79 MAPT (0.47) SMN1; SMN2F2MAPK1KDM4EMAPT
SCHEMBL4028934 0.78 CA2 (0.49) SMN1; SMN2F2DAOMAPK1KDM4E
SCHEMBL4466138 0.78 CA2 (0.49) SMN1; SMN2F2DAOMAPK1KDM4E
SCHEMBL3429653 0.76 F10 (0.50) SMN1; SMN2F2DAOALDH1A1NPC1
SCHEMBL3429658 0.76 F10 (0.50) SMN1; SMN2F2DAOALDH1A1NPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
CN-101014591-A Novel substituted thiophenecarboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-08-08 CN disclosed
EP-1748996-A1 SUBSTITUTED THIOPHEN-CARBOXYLIC ACID AMIDES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG Boehringer Ingelheim International GmbH (DE) 2007-02-07 EP disclosed
EP-1748997-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-07 EP disclosed
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
WO-2005111014-A1 SUBSTITUTED THIOPHEN-CARBOXYLIC ACID AMIDES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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 (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-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 SMN1; SMN2 3283/4885F2 1143/4885DAO 2913/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC SMN1; SMN2 1529/4885F2 1901/4885DAO 1922/4885
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 SMN1; SMN2 3283/4885F2 1143/4885DAO 2913/4885

“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.