SCHEMBL3346797

SCHEMBL3346797

CC(C)OC(=O)CCc1ccc(C#N)c(OCC2CO2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CASR P41180 2/20 0.42
S1PR1 P21453 13/20 0.40
S1PR5 Q9H228 8/20 0.40
S1PR3 Q99500 1/20 0.38
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7603924 0.86 CASR (0.52) FFAR1FFAR4CASRS1PR1KCNJ1
SCHEMBL7603925 0.86 CASR (0.52) FFAR1FFAR4CASRS1PR1KCNJ1
SCHEMBL3348258 0.84 FFAR1 (0.59) FFAR1FFAR4CASRS1PR1S1PR5
SCHEMBL3348748 0.84 FFAR1 (0.59) FFAR1FFAR4CASRS1PR1S1PR5
SCHEMBL7604097 0.80 MGLL (0.48) FFAR1FFAR4CASRKCNJ1KCNH2
SCHEMBL7604094 0.80 MGLL (0.48) FFAR1FFAR4CASRKCNJ1KCNH2
SCHEMBL6374360 0.80 CASR (0.49) CASRS1PR1S1PR5S1PR3KCNH2
SCHEMBL11021516 0.79 ALDH1A1 (0.46)
SCHEMBL3346802 0.79 ALDH1A1 (0.35) FFAR1FFAR4
SCHEMBL3349550 0.77 APP (0.43) FFAR1FFAR4S1PR1S1PR5S1PR3

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 8 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
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 4331/4885CASR 10/4885
US-20040192741-A1 Calcilytic compounds SOST, CALCB, CALCR FFAR1 4113/4885FFAR4 4331/4885CASR 10/4885

“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.