SCHEMBL6988369

SCHEMBL6988369

O=C(Nc1cc(CO)ccc1F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
ROCK2 O75116 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL2854378 0.82 EPHX2 (0.40) L3MBTL1HTTALDH1A1GAATHRB
SCHEMBL27636559 0.80 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1PLK4AURKA
SCHEMBL5774643 0.79 CA1 (0.41) L3MBTL1HTTPDK1PDK2PDK3
SCHEMBL2709623 0.78 PDK1 (0.44) L3MBTL1HTTALDH1A1GAATHRB
SCHEMBL3441761 0.77 ALDH1A1 (0.42) L3MBTL1HTTALDH1A1GAATHRB
SCHEMBL2088279 0.77 PDK1 (0.41) L3MBTL1HTTALDH1A1GAATHRB
SCHEMBL14515393 0.77 ALDH1A1 (0.52) L3MBTL1HTTALDH1A1GAATHRB
SCHEMBL2452887 0.77 ALDH1A1 (0.39) L3MBTL1HTTALDH1A1GAATHRB
SCHEMBL22411865 0.76 KCNQ4 (0.46) CYP4F2CYP4A11L3MBTL1HTTALDH1A1
SCHEMBL6987902 0.76 CYP4F2 (0.48) CYP4F2CYP4A11L3MBTL1HTTALDH1A1

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 CYP4F2 760/4885CYP4A11 71/4885L3MBTL1 4088/4885

“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.