SCHEMBL6989389

SCHEMBL6989389

CCOC(=O)CC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
PPID Q08752 4/20 0.47
PPIB P23284 1/20 0.47
PPIA P62937 1/20 0.47
PPIG Q13427 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 2/20 0.46
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
PPARG P37231 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL8786889 0.85 MAPT (0.51) NAMPTPPIDPPIBPPIAPPIG
SCHEMBL3905352 0.85 HTT (0.59) NAMPTL3MBTL1HDAC1GAAHTT
SCHEMBL21819592 0.83 NAMPT (0.50) NAMPTPPIDPPIBPPIAPPIG
SCHEMBL6376720 0.83 CYP4F2 (0.56) NAMPTPPIDPPIBPPIAPPIG
SCHEMBL3180689 0.81 L3MBTL1 (0.61) NAMPTL3MBTL1HDAC1GAATSHR
SCHEMBL8276814 0.81 ALDH1A1 (0.63) NAMPTL3MBTL1HDAC1GAATSHR
SCHEMBL16754065 0.81 NAMPT (0.53) NAMPTL3MBTL1HDAC1GAAMAPT
SCHEMBL7258106 0.80 NAMPT (0.50) NAMPTL3MBTL1HDAC1GAAALDH1A1
SCHEMBL1668317 0.80 EPHX2 (0.59) NAMPTL3MBTL1HDAC1SMN1; SMN2MAPT
SCHEMBL25054042 0.80 NAMPT (0.47) NAMPTL3MBTL1HDAC1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020225077-A1 PYRIMIDO[4,5-B]INDOL DERIVATIVES AS PDHK1 INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-11-12 WO disclosed
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 NAMPT 2928/4885PPID 4269/4885PPIB 4409/4885

“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.