SCHEMBL4981017

SCHEMBL4981017

COc1c(F)cccc1-c1ccc(C(C)(NC(=O)O)C(C)(C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
BDKRB1 P46663 11/20 0.39
LRRK2 Q5S007 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
ADORA2A P29274 1/20 0.36
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ABCB1 P08183 1/20 0.35
ACLY P53396 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
SCHEMBL4988415 0.77 BDKRB1 (0.34) BDKRB1
SCHEMBL4981015 0.72 CTSA (0.41) CTSAFFAR4BDKRB1
SCHEMBL4983690 0.71 DGAT1 (0.39)
SCHEMBL4981006 0.69 CTSA (0.41) CTSAFFAR4BDKRB1
SCHEMBL12999417 0.67 CA12 (0.41) CTSALRRK2CA12CA1CA2
SCHEMBL29353186 0.66 ALOX5AP (0.45) CTSAFFAR4
SCHEMBL6607015 0.66 ALOX5AP (0.45) CTSAFFAR4
SCHEMBL4922112 0.66 S1PR1 (0.41) CTSAABCB1
SCHEMBL28757562 0.66 RORC (0.39) CTSAFFAR4BDKRB1LRRK2CA12
SCHEMBL23362825 0.65 LRRK2 (0.38) CTSAFFAR4BDKRB1LRRK2CD274

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 CTSA 967/4885FFAR4 401/4885BDKRB1 1/4885

“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.