SCHEMBL4988407

SCHEMBL4988407

C[C@H](c1ccc(-c2cccc(F)c2CS(=O)(=O)C(F)(F)F)cc1F)N(C(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.35
GRIA4 P48058 1/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
NR1I2 O75469 1/20 0.31
CYP2C9 P11712 1/20 0.31
IDO1 P14902 1/20 0.31

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
Hydrochloric Acid SCHEMBL4983756 0.79 GRIA4 (0.36) BDKRB1GRIA4ALOX5APFEN1
SCHEMBL4988410 0.78 BDKRB1 (0.36) BDKRB1
SCHEMBL4981006 0.78 CTSA (0.41) BDKRB1
SCHEMBL4988415 0.73 BDKRB1 (0.34) BDKRB1ALOX5APFEN1
SCHEMBL4987228 0.72 BDKRB1 (0.71) BDKRB1
SCHEMBL18040183 0.69 PDE2A (0.43)
SCHEMBL18040182 0.69 PDE2A (0.43)
SCHEMBL4983679 0.68 APLNR (0.41)
SCHEMBL20238681 0.68 KMT2A (0.41)
SCHEMBL20238525 0.68 KMT2A (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BDKRB1 1/4885GRIA4 568/4885ALOX5AP 1090/4885

“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.