SCHEMBL3349550

SCHEMBL3349550

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
S1PR1 P21453 8/20 0.40
S1PR5 Q9H228 7/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
IAPP P10997 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 2/20 0.38
TSHR P16473 1/20 0.38
S1PR3 Q99500 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL3348357 0.82 CYP4F2 (0.54) APPIAPPFFAR1
SCHEMBL3352567 0.78 FFAR1 (0.53) S1PR1FFAR1FFAR4
SCHEMBL3346797 0.77 FFAR1 (0.43) S1PR1S1PR5FFAR1S1PR3FFAR4
SCHEMBL27586943 0.75 ALOX15 (0.42) ALDH1A1MAPTRAB9AKDM4ELMNA
SCHEMBL7608755 0.75 CYP4Z1 (0.46) APPSMN1; SMN2
SCHEMBL4420191 0.75 CA12 (0.50) ALDH1A1MAPTKDM4ELMNAHSD17B10
SCHEMBL27897785 0.72 IDH1 (0.38) ALDH1A1MAPTRAB9AKDM4ELMNA
SCHEMBL19024861 0.71 L3MBTL1 (0.59) ALDH1A1MAPTKDM4ELMNAHSD17B10
SCHEMBL6376291 0.71 CYP4F2 (0.54) APPIAPP
SCHEMBL14417580 0.70 RAB9A (0.44) S1PR1ALDH1A1MAPTRAB9AKDM4E

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 APP 1632/4885S1PR1 3541/4885S1PR5 2752/4885
US-20040192741-A1 Calcilytic compounds SOST, CALCB, CALCR APP 1632/4885S1PR1 3541/4885S1PR5 2752/4885

“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.