SCHEMBL6987937

SCHEMBL6987937

CCOC(=O)C=Cc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA2 P00918 1/20 0.55
CYP3A4 P08684 1/20 0.49
TTR P02766 1/20 0.48
DPP4 P27487 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.44
NAMPT P43490 2/20 0.43
FDPS P14324 1/20 0.43
GAA P10253 1/20 0.43
AKR1C3 P42330 1/20 0.42
PPIB P23284 1/20 0.42
PPIA P62937 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
SCHEMBL30944751 1.00 CA12 (0.55) CA12CA1CA7CA9CA14
SCHEMBL3674926 0.88 CA1 (0.51) CA12CA1CA7CA9CA14
SCHEMBL1165045 0.88 CA1 (0.51) CA12CA1CA7CA9CA14
SCHEMBL4087563 0.88 CA12 (0.56) CA12CA1CA7CA9CA14
SCHEMBL4087559 0.88 CA12 (0.56) CA12CA1CA7CA9CA14
SCHEMBL4491710 0.88 CA1 (0.52) CA12CA1CA7CA9CA14
SCHEMBL2174596 0.86 TTR (0.47) CA12CA1CA7CA9CA14
SCHEMBL2174598 0.86 TTR (0.47) CA12CA1CA7CA9CA14
SCHEMBL5598393 0.84 L3MBTL1 (0.48) CA12CA1CA7CA14CA2
SCHEMBL5598396 0.84 L3MBTL1 (0.48) CA12CA1CA7CA14CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 CA12 4279/4885CA1 3197/4885CA7 2781/4885

“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.