SCHEMBL9894828

SCHEMBL9894828

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.45
FBP1 P09467 1/20 0.42
GCK P35557 4/20 0.42
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL9894921 0.94 FFAR2 (0.43) FFAR2FBP1GCKALDH1A1MAPT
SCHEMBL9896000 0.93 AKT1 (0.43) FFAR2FBP1GCKCTSLCTSS
SCHEMBL9896749 0.93 FFAR2 (0.56) FFAR2FBP1GCKCTSLCTSS
SCHEMBL9894970 0.91 RORC (0.41) FFAR2FBP1GCKALDH1A1MAPT
SCHEMBL9896462 0.91 MAPT (0.44) FFAR2FBP1GCKALDH1A1MAPT
SCHEMBL9895818 0.90 PTPN1 (0.45) FFAR2GCKCTSSMAPTMEN1
SCHEMBL9895023 0.90 PTPN1 (0.45) FFAR2GCKCTSSMAPTMEN1
SCHEMBL9894922 0.89 XDH (0.41) FFAR2FBP1GCKMAPTLMNA
SCHEMBL9895191 0.89 GCK (0.40) FFAR2FBP1GCKCTSLCTSS
SCHEMBL9895303 0.88 FFAR2 (0.48) FFAR2FBP1GCKCTSLCTSS

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 1205/4885GCK 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.