SCHEMBL4101259

SCHEMBL4101259

Cc1sc(C)c(Cc2ccc(C(F)(F)F)cc2)c1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.45
PTGER2 P43116 2/20 0.45
MBOAT4 Q96T53 1/20 0.39
VKORC1 Q9BQB6 1/20 0.38
IDH1 O75874 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
SRD5A2 P31213 1/20 0.36
LTA4H P09960 1/20 0.36
IDO1 P14902 2/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL13230150 0.81 ALDH1A1 (0.39) TAAR1SRD5A2LTA4HIDO1ALDH1A1
SCHEMBL13229813 0.78 PTGER4 (0.48) PTGER4PTGER2MBOAT4IDH1TAAR1
SCHEMBL26784555 0.78 PTGER4 (0.41) PTGER4PTGER2TAAR1IDO1ALDH1A1
SCHEMBL4091100 0.76 PTGER4 (0.64) PTGER4PTGER2IDH1SRD5A2NPC1
SCHEMBL26784328 0.75 TAAR1 (0.38) TAAR1IDO1ALDH1A1GAA
SCHEMBL13210485 0.75 PTGER4 (0.56) PTGER4PTGER2VKORC1IDH1SRD5A2
SCHEMBL7468157 0.70 IDH1 (0.46) IDH1TAAR1SRD5A2LTA4HIDO1
SCHEMBL2096666 0.70 SRD5A2 (0.59) IDH1TAAR1SRD5A2LTA4HIDO1
SCHEMBL16155871 0.69 BCHE (0.53) IDH1TAAR1SRD5A2LTA4HIDO1
SCHEMBL3042346 0.69 SRD5A2 (0.50) TAAR1SRD5A2LTA4HIDO1ALDH1A1

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 15 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
CN-101541778-B Thiophenecarboxamide derivatives as EP4 receptor ligands MERCK FROSST CANADA LTD. (CA) 2014-10-08 CN 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 7/4885MBOAT4 917/4885
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 PTGER4 1/4885PTGER2 3/4885MBOAT4 901/4885

“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.