SCHEMBL5222285

SCHEMBL5222285

CCOC(=O)c1ccc(-c2ccc(O)c(C#N)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42

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
SCHEMBL5217933 0.85 HPGD (0.56) CA12CA1CA2CA7CA9
SCHEMBL9256029 0.78 CTSS (0.48) CA12CA1CA2CA7CA9
SCHEMBL5217488 0.78 HPGD (0.45) HPGDALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL17472765 0.75 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL24595883 0.74 NPC1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL2997892 0.73 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL31329022 0.72 SIRT2 (0.46) CA12CA9HPGDALDH1A1KDM4E
SCHEMBL6053686 0.72 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL28609425 0.72 RAB9A (0.55) CA12CA1CA2CA7CA9
SCHEMBL18049247 0.72 JMJD6 (0.46) CA12CA1CA2CA7CA9

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 CA12 110/4885CA1 191/4885CA2 647/4885

“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.