SCHEMBL4084814

SCHEMBL4084814

O=C(O)c1cscc1Cc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.61
PTGER2 P43116 1/20 0.61
CYP2C9 P11712 1/20 0.51
HCAR2 Q8TDS4 2/20 0.47
CTBP2 P56545 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
DCLRE1B Q9H816 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
APEX1 P27695 1/20 0.42
PTPRC P08575 1/20 0.42
PTPRG P23470 1/20 0.42
NR4A2 P43354 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE5A O76074 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL5367116 0.80 HCAR2 (0.50) PTGER4PTGER2HCAR2CTBP2PDE3B
SCHEMBL7374000 0.80 TSHR (0.57) HCAR2CTBP2DCLRE1BRXRARXRB
SCHEMBL11322770 0.78 PTPN1 (0.51) HCAR2CTBP2APEX1PTPRCPTPRG
SCHEMBL14299006 0.78 PTGER4 (1.00) PTGER4PTGER2
SCHEMBL2352356 0.78 PTGER4 (1.00) PTGER4PTGER2
SCHEMBL4090594 0.75 PNMT (0.43) PTGER4PTGER2TAAR1
SCHEMBL13655851 0.75 PTGER4 (0.43) PTGER4PTGER2MAPTMAPK1ALDH1A1
SCHEMBL17428963 0.74 PDE5A (0.50) PTGER4PTGER2HCAR2CTBP2RXRA
SCHEMBL26784446 0.74 CYP2C9 (0.55) CYP2C9DCLRE1BALDH1A1
SCHEMBL4088746 0.73 PTGER4 (0.61) PTGER4PTGER2HCAR2CTBP2PDE3B

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-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-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 PTGER4 1/4885PTGER2 3/4885CYP2C9 245/4885

“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.