SCHEMBL5221927

SCHEMBL5221927

CCOC(=O)c1cncc(-c2ccc(C#N)c(OCC3CO3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.49
CYP11B1 P15538 7/20 0.49
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
S1PR1 P21453 1/20 0.39
XDH P47989 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
VDR P11473 1/20 0.38
FPR2 P25090 1/20 0.38
P2RY12 Q9H244 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
SCHEMBL6053636 0.88 HSD17B10 (0.41) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL5221921 0.83 XDH (0.41) CYP11B2CYP11B1KDM4EALDH1A1HPGD
SCHEMBL5219920 0.80 CYP1A2 (0.43) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL5214483 0.79 CYP11B2 (0.58) CYP11B2CYP11B1KDM4EALDH1A1CYP2C9
SCHEMBL5219763 0.78 CYP11B2 (0.70) CYP11B2CYP11B1
SCHEMBL6053580 0.73 FDFT1 (0.40) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL31181709 0.73 CYP2C9 (0.49) CYP11B2CYP11B1ALDH1A1HPGDCYP2C9
SCHEMBL19065487 0.73 CYP2C9 (0.49) CYP11B2CYP11B1ALDH1A1HPGDCYP2C9
SCHEMBL7603924 0.72 CASR (0.52) S1PR1
SCHEMBL7603925 0.72 CASR (0.52) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368318-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-12-05 EP disclosed
US-6864267-B2 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-03-08 US disclosed
EP-1368318-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2003-12-10 EP disclosed
US-20030212110-A1 Glandular disorders; bone disorders SMITHKLINE BEECHAM CORPORATION 2003-11-13 US disclosed
WO-2002007673-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-31 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 (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-20030212110-A1 Glandular disorders; bone disorders CYP24A1, PTH1R, SOST CYP11B2 1469/4885CYP11B1 1806/4885KDM4E 4705/4885

“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.