SCHEMBL4091100

SCHEMBL4091100

Cc1sc(C)c(C(=O)O)c1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.64
PTGER2 P43116 4/20 0.64
SRD5A2 P31213 1/20 0.49
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
IDH1 O75874 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL13210485 0.87 PTGER4 (0.56) PTGER4PTGER2SRD5A2LDHALDHB
SCHEMBL13230321 0.84 PTGER4 (0.46) PTGER4PTGER2SRD5A2ALDH1A1GAA
SCHEMBL26784561 0.81 PTGER4 (0.61) PTGER4PTGER2LDHALDHBNPC1
SCHEMBL16524288 0.81 PTGER4 (0.69) PTGER4PTGER2SRD5A2PPARA
SCHEMBL28811561 0.80 PTGER4 (0.80) PTGER4PTGER2SRD5A2NPC1PPARG
SCHEMBL26784332 0.79 LMNA (0.50) PTGER4PTGER2ALDH1A1GAA
SCHEMBL13655944 0.79 PTGER4 (1.00) PTGER4PTGER2
SCHEMBL2353056 0.79 PTGER4 (1.00) PTGER4PTGER2
Benzoic Acid SCHEMBL27959675 0.78 PTGER4 (0.74) PTGER4PTGER2SRD5A2ALDH1A1
SCHEMBL13210541 0.78 PTGER4 (0.69) PTGER4PTGER2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969394-B2 Thiophenecarboxamide derivatives as EP4 receptor ligands MERCK FROSST CANADA LTD. (CA) 2015-03-03 US disclosed
US-8969394-B2 Thiophenecarboxamide derivatives as EP4 receptor ligands MERCK FROSST CANADA LTD. (CA) 2015-03-03 US disclosed
US-8969394-B2 Thiophenecarboxamide derivatives as EP4 receptor ligands MERCK FROSST CANADA LTD. (CA) 2015-03-03 US disclosed
EP-2054401-B1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC (CA) 2013-05-01 EP disclosed
EP-2054401-B1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC (CA) 2013-05-01 EP disclosed
US-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES DAVIES IAN 2010-08-12 US disclosed
US-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES DAVIES IAN 2010-08-12 US disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
EP-2054401-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS Merck Frosst Canada Ltd. (CA) 2009-05-06 EP disclosed
WO-2009020588-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVE MERCK & CO., INC. (US) 2009-02-12 WO disclosed
WO-2008017164-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK FROSST CANADA LTD. (CA) 2008-02-14 WO disclosed
WO-2008017164-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK FROSST CANADA LTD. (CA) 2008-02-14 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 (2 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-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES PTGER4, P2RY4, PTGES2 PTGER4 1/4885PTGER2 7/4885SRD5A2 2595/4885
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 PTGER4 1/4885PTGER2 3/4885SRD5A2 1029/4885

“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.