SCHEMBL9894970

SCHEMBL9894970

CS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3cc(C(F)(F)F)ccc3o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
FFAR2 O15552 1/20 0.41
GCK P35557 1/20 0.39
FBP1 P09467 2/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
PTGS2 P35354 3/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C9 P11712 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
EPHX2 P34913 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
APOBEC3G Q9HC16 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
SCHEMBL9894828 0.91 FFAR2 (0.45) FFAR2GCKFBP1MEN1MAPT
SCHEMBL9894921 0.89 FFAR2 (0.43) FFAR2GCKFBP1MEN1MAPT
SCHEMBL9896749 0.88 FFAR2 (0.56) FFAR2GCKFBP1MEN1MAPT
SCHEMBL9896000 0.87 AKT1 (0.43) FFAR2GCKFBP1MEN1MAPT
SCHEMBL9896462 0.86 MAPT (0.44) FFAR2GCKFBP1MEN1MAPT
SCHEMBL9895023 0.86 PTPN1 (0.45) FFAR2GCKMEN1MAPTKMT2A
SCHEMBL9895818 0.86 PTPN1 (0.45) FFAR2GCKMEN1MAPTKMT2A
SCHEMBL9894922 0.84 XDH (0.41) RORCFFAR2GCKFBP1MAPT
SCHEMBL9895191 0.84 GCK (0.40) FFAR2GCKFBP1TRPV1CYP2C9
SCHEMBL9895303 0.83 FFAR2 (0.48) FFAR2GCKFBP1PTGS2

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 RORC 478/4885FFAR2 236/4885GCK 1756/4885

“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.