SCHEMBL13655838

SCHEMBL13655838

Cc1sc(C)c(Cc2cccc(C(F)(F)F)c2)c1C=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.51
PTGER2 P43116 1/20 0.51
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
AR P10275 1/20 0.44
GPR52 Q9Y2T5 6/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LTA4H P09960 1/20 0.43
IDO1 P14902 2/20 0.42
DAO P14920 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
SCHEMBL13229813 0.85 PTGER4 (0.48) PTGER4PTGER2ARTAAR1LTA4H
SCHEMBL13655991 0.80 PTGER4 (0.48) PTGER4PTGER2GPR52TAAR1IDO1
SCHEMBL13656014 0.79 PTGER4 (0.48) PTGER4PTGER2HTR2AHTR2CHTR2B
SCHEMBL18002661 0.73 MAPT (0.46) HTR2AHTR2CHTR2BTAAR1LTA4H
SCHEMBL13656002 0.71 PTGER4 (0.45) PTGER4PTGER2HTR2AHTR2BAR
SCHEMBL30644998 0.71 DAO (0.49) HTR2AHTR2CHTR2BTAAR1LTA4H
SCHEMBL18001841 0.71 DAO (0.49) HTR2AHTR2CHTR2BTAAR1LTA4H
SCHEMBL17508140 0.71 LTA4H (0.50) HTR2AHTR2CHTR2BTAAR1LTA4H
SCHEMBL3237564 0.71 TAAR1 (0.64) HTR2AHTR2CHTR2BTAAR1LTA4H
SCHEMBL28291656 0.70 TAAR1 (0.56) HTR2AHTR2CHTR2BTAAR1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US 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 3/4885HTR2A 566/4885

“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.