SCHEMBL4091839

SCHEMBL4091839

Cc1sc(C)c(C(O)c2ccc(C(F)(F)F)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
IGFBP3 P17936 1/20 0.37
PTGER4 P35408 2/20 0.36
PTGER2 P43116 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
GSK3B P49841 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
PDE2A O00408 1/20 0.33
KIF11 P52732 1/20 0.33
CETP P11597 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL2090829 0.72 CES2 (0.55) CES2CES1IGFBP3TOP2ATOP2B
SCHEMBL13210487 0.71 SRD5A2 (0.49) CES2CES1PTGER4PTGER2GSK3B
SCHEMBL10392935 0.70 CES2 (0.53) CES2CES1IGFBP3TOP2ATOP2B
SCHEMBL2276839 0.67 KIF11 (0.58) CES2CES1KIF11FFAR1
SCHEMBL2610298 0.66 CES2 (0.59) CES2CES1GSK3BKIF11MAPT
SCHEMBL4101259 0.66 PTGER4 (0.45) PTGER4PTGER2IDO1
SCHEMBL477694 0.65 ACP3 (0.59) CES2CES1TOP2ATOP2BKIF11
SCHEMBL477425 0.65 ACP3 (0.59) CES2CES1TOP2ATOP2BKIF11
SCHEMBL1350356 0.65 PAX8 (0.49) CES2CES1IGFBP3TOP2ATOP2B
SCHEMBL11854191 0.65 TOP2A (0.48) CES2CES1IGFBP3TOP2ATOP2B

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 13 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-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 CES2 1244/4885CES1 929/4885IGFBP3 4182/4885
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 CES2 4294/4885CES1 1727/4885IGFBP3 4384/4885

“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.