SCHEMBL9895613

SCHEMBL9895613

CCOC(=O)c1cnc(NC(=O)C(Cc2ccc(F)cc2)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
GCK P35557 4/20 0.38
EPHX2 P34913 5/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PDE4B Q07343 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CHRNA7 P36544 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL9895513 0.92 GCK (0.39) GCKEPHX2HDAC3HDAC4HDAC1
SCHEMBL9895190 0.86 GCK (0.43) GCKEPHX2GPR55
SCHEMBL9894872 0.84 GCK (0.38) GCKEPHX2GPR55
SCHEMBL9894675 0.83 GCK (0.41) PTGS2GCKEPHX2HDAC3HDAC4
SCHEMBL9895741 0.83 GCK (0.38) PTGS2GCKEPHX2GPR55
SCHEMBL9895197 0.82 GCK (0.40) PTGS2GCKEPHX2PDE4BGPR55
SCHEMBL9896482 0.82 GCK (0.40) PTGS2GCKEPHX2PDE4BGPR55
SCHEMBL9897486 0.82 GCK (0.40) PTGS2GCKEPHX2PDE4BGPR55
SCHEMBL9895724 0.82 GCK (0.39) GCKEPHX2GPR55
SCHEMBL9894717 0.81 GCK (0.41) GCKEPHX2GPR55

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 PTGS2 1485/4885GCK 1756/4885EPHX2 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.