SCHEMBL9896010

SCHEMBL9896010

CS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.51
PTGS2 P35354 2/20 0.49
PTGS1 P23219 1/20 0.49
CA2 P00918 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2J2 P51589 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
AKR1C3 P42330 1/20 0.44
ESR2 Q92731 1/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL9896517 0.86 PTGS1 (0.57) PTGS2PTGS1CYP2C9AKR1C2AKR1C3
SCHEMBL9898533 0.85 ESR1 (0.59) EPHX2CYP2C9CYP2C19CYP2J2ESR2
SCHEMBL9895000 0.84 SLC1A1 (0.48) EPHX2PTGS2CYP2C9AKR1C3CCR5
SCHEMBL9895935 0.84 VNN1 (0.45) EPHX2PTGS2PTGS1CA2
SCHEMBL7847559 0.82 EPHX2 (0.49) EPHX2PTGS2PTGS1ESR2
SCHEMBL9898689 0.82 EPHX2 (0.43) EPHX2CYP2C9CYP2C19CYP2J2ESR2
SCHEMBL9895954 0.80 PTGS2 (0.42) EPHX2PTGS2PTGS1CA2AKR1C2
SCHEMBL4664796 0.80 PPARA (0.56) EPHX2PTGS2PTGS1CYP2C9CYP2C19
SCHEMBL29174149 0.78 LDHA (0.59) PTGS2PTGS1CYP2C9CYP2C19
SCHEMBL4482850 0.77 AKR1C3 (0.47) EPHX2PTGS1AKR1C2AKR1C1AKR1C3

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 EPHX2 1765/4885PTGS2 1485/4885PTGS1 1171/4885

“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.