SCHEMBL9896749

SCHEMBL9896749

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.56
FBP1 P09467 11/20 0.53
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
ANO1 Q5XXA6 1/20 0.42
MAPT P10636 2/20 0.41
GCK P35557 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL9895303 0.94 FFAR2 (0.48) FFAR2FBP1CTSLCTSSGCK
SCHEMBL9894828 0.93 FFAR2 (0.45) FFAR2FBP1CTSLCTSSMAPT
SCHEMBL9894921 0.90 FFAR2 (0.43) FFAR2FBP1MAPTGCKKDM4E
SCHEMBL9896000 0.88 AKT1 (0.43) FFAR2FBP1CTSLCTSSMAPT
SCHEMBL9894970 0.88 RORC (0.41) FFAR2FBP1MAPTGCKKDM4E
SCHEMBL9896462 0.88 MAPT (0.44) FFAR2FBP1MAPTGCKMEN1
SCHEMBL9895023 0.87 PTPN1 (0.45) FFAR2CTSSMAPTGCKMEN1
SCHEMBL9895818 0.87 PTPN1 (0.45) FFAR2CTSSMAPTGCKMEN1
SCHEMBL9894922 0.86 XDH (0.41) FFAR2FBP1MAPTGCK
SCHEMBL9895191 0.86 GCK (0.40) FFAR2FBP1CTSLCTSSGCK

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 FFAR2 236/4885FBP1 1205/4885CTSL 2273/4885

“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.