SCHEMBL4684231

SCHEMBL4684231

CS(=O)(=O)Nc1c(F)cccc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.39
KMT2A Q03164 3/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G7 Q13093 2/20 0.38
PSIP1 O75475 1/20 0.37
THRB P10828 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
PTGS2 P35354 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
SCHEMBL10625562 0.86 KEAP1 (0.46) KEAP1KMT2ANFE2L2GAAMAPK1
SCHEMBL10270717 0.79 KEAP1 (0.52) KEAP1KMT2ANFE2L2GAAMAPK1
SCHEMBL17553989 0.76 PSIP1 (0.43) KEAP1KMT2ANFE2L2GAAMAPK1
SCHEMBL27688702 0.75 KIF11 (0.48) KEAP1KMT2AGAAMAPK1SMN1; SMN2
SCHEMBL30505751 0.75 ERN1 (0.46) KEAP1KMT2ANFE2L2GAAMAPK1
SCHEMBL2737238 0.75 L3MBTL1 (0.54) KMT2ASMN1; SMN2
SCHEMBL8605545 0.74 KEAP1 (0.50) KEAP1KMT2ANFE2L2PLA2G7PSIP1
SCHEMBL28740358 0.74 KCNH2 (0.36) KMT2AGAATHRBHTT
SCHEMBL221303 0.74 ALB (0.49) KEAP1KMT2AGAAPLA2G7
SCHEMBL31046903 0.74 ALB (0.49) KEAP1KMT2AGAAPLA2G7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654232-A4 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES MERCK & CO INC (US) 2008-11-12 EP disclosed
US-7332499-B2 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK & CO., INC. (US) 2008-02-19 US disclosed
US-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK SHARP & DOHME CORP. 2006-11-02 US disclosed
CN-1832922-A Sulfonyl-substituted N- (biarylmethyl) aminocyclopropanecarboxamides MERCK & CO INC (US) 2006-09-13 CN disclosed
EP-1654232-A1 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2006-05-10 EP disclosed
WO-2005016886-A1 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES MERCK & CO., INC. (US) 2005-02-24 WO 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-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides BDKRB1, BDKRB2, CNR2 KEAP1 470/4885KMT2A 2522/4885NFE2L2 1036/4885

“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.