SCHEMBL3352567

SCHEMBL3352567

N#Cc1ccc(CCC(=O)O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.53
FFAR4 Q5NUL3 4/20 0.52
KEAP1 Q14145 1/20 0.44
AKR1B1 P15121 1/20 0.44
S1PR1 P21453 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL1932268 0.82 FFAR1 (0.52) FFAR1FFAR4KEAP1AKR1B1S1PR1
SCHEMBL2475056 0.82 FFAR1 (0.52) FFAR1FFAR4AKR1B1S1PR1
SCHEMBL6985623 0.82 FFAR1 (0.65) FFAR1FFAR4KEAP1AKR1B1S1PR1
SCHEMBL2827047 0.82 FFAR1 (0.59) FFAR1FFAR4S1PR1
SCHEMBL30444612 0.82 FFAR1 (0.65) FFAR1FFAR4KEAP1AKR1B1S1PR1
SCHEMBL31395882 0.80 FFAR1 (0.54) FFAR1FFAR4KEAP1AKR1B1S1PR1
SCHEMBL3348357 0.79 CYP4F2 (0.54) FFAR1
SCHEMBL6184598 0.79 FFAR1 (0.49) FFAR1FFAR4KEAP1AKR1B1S1PR1
SCHEMBL4715830 0.79 S1PR1 (0.58) FFAR1FFAR4KEAP1AKR1B1S1PR1
SCHEMBL28460083 0.78 FFAR1 (0.57) FFAR1FFAR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141146-A1 Calcilytic compounds SmithKline Beecham Corporation (US) 2010-01-06 EP disclosed
EP-1254106-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-02-25 EP disclosed
US-7109238-B2 Calcilytic compounds SMITH KLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
EP-1254106-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-09-14 EP disclosed
US-20040192741-A1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION & NPS PHARMACEUTICALS 2004-09-30 US disclosed
CN-1396906-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2003-02-12 CN disclosed
US-20030018203-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-01-23 US disclosed
EP-1254106-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2002-11-06 EP disclosed
WO-2001053254-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-07-26 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 (2 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-20030018203-A1 Calcilytic compounds SOST, CALCB, CALCR FFAR1 4113/4885FFAR4 4331/4885KEAP1 4006/4885
US-20040192741-A1 Calcilytic compounds SOST, CALCB, CALCR FFAR1 4113/4885FFAR4 4331/4885KEAP1 4006/4885

“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.