SCHEMBL9895741

SCHEMBL9895741

CC(=O)OCc1cnc(NC(=O)C(Cc2ccc(F)cc2)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.38
PTGS2 P35354 1/20 0.38
EPHX2 P34913 7/20 0.38
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
GFER P55789 1/20 0.35
CHEK1 O14757 2/20 0.34
FFAR2 O15552 1/20 0.34

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
SCHEMBL9895724 0.92 GCK (0.39) GCKEPHX2ESR1ESR2GPR55
SCHEMBL9894872 0.90 GCK (0.38) GCKEPHX2GPR55CHEK1FFAR2
SCHEMBL9896686 0.90 TRPV1 (0.37) GCKPTGS2CHEK1
SCHEMBL9895197 0.89 GCK (0.40) GCKPTGS2EPHX2GPR55FFAR2
SCHEMBL9897486 0.89 GCK (0.40) GCKPTGS2EPHX2GPR55FFAR2
SCHEMBL9896482 0.89 GCK (0.40) GCKPTGS2EPHX2GPR55FFAR2
SCHEMBL9895190 0.85 GCK (0.43) GCKEPHX2GPR55CHEK1
SCHEMBL9894675 0.84 GCK (0.41) GCKPTGS2EPHX2GPR55FFAR2
SCHEMBL9895513 0.83 GCK (0.39) GCKEPHX2GPR55CHEK1FFAR2
SCHEMBL9895613 0.83 PTGS2 (0.40) GCKPTGS2EPHX2GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US claimed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
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 GCK 1756/4885PTGS2 1485/4885EPHX2 1765/4885

“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.