SCHEMBL4090594

SCHEMBL4090594

Clc1cccc(Cc2cscc2Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.43
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
TAAR1 Q96RJ0 3/20 0.41
CYP3A4 P08684 3/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
MPO P05164 1/20 0.39
DAO P14920 1/20 0.39
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7372584 0.77 PNMT (0.52) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL13655851 0.76 PTGER4 (0.43) PNMTPTGER4PTGER2TAAR1CYP3A4
SCHEMBL4084814 0.75 PTGER4 (0.61) PTGER4PTGER2TAAR1
SCHEMBL4096607 0.75 PNMT (0.44) PNMTPTGER4TAAR1CYP3A4IDO1
SCHEMBL3300276 0.73 PNMT (0.65) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL27959701 0.70 PNMT (0.47) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL26858266 0.69 PNMT (0.50) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL14396813 0.69 MEN1 (0.51) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL14685914 0.69 PNMT (0.50) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL17398724 0.69 DAO (0.41) PNMTPTGER4TAAR1CYP3A4DAO

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 10 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
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-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 (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-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 PNMT 4038/4885PTGER4 1/4885PTGER2 3/4885

“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.