SCHEMBL9894675

SCHEMBL9894675

CS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2cnc(Br)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.41
EPHX2 P34913 7/20 0.39
GPR55 Q9Y2T6 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FFAR2 O15552 1/20 0.37
CYP2C9 P11712 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL9895190 0.89 GCK (0.43) GCKEPHX2GPR55
SCHEMBL9896482 0.87 GCK (0.40) GCKEPHX2GPR55FFAR2CYP2C9
SCHEMBL9897486 0.87 GCK (0.40) GCKEPHX2GPR55FFAR2CYP2C9
SCHEMBL9895197 0.87 GCK (0.40) GCKEPHX2GPR55FFAR2CYP2C9
SCHEMBL9895456 0.86 GCK (0.40) GCKEPHX2GPR55FFAR2CYP2C9
SCHEMBL9894717 0.86 GCK (0.41) GCKEPHX2GPR55FFAR2
SCHEMBL9895513 0.85 GCK (0.39) GCKEPHX2GPR55HDAC3HDAC4
SCHEMBL9895724 0.85 GCK (0.39) GCKEPHX2GPR55
SCHEMBL9895741 0.84 GCK (0.38) GCKEPHX2GPR55FFAR2PTGS2
SCHEMBL9895033 0.83 GAA (0.38) GCKPTGS2

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 1756/4885EPHX2 1765/4885GPR55 217/4885

“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.