SCHEMBL8907151

SCHEMBL8907151

CN(C)C(C(=O)C(C)(C)C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACP3 P15309 1/20 0.44
PNMT P11086 1/20 0.44
KLRK1 P26718 3/20 0.44
MICA Q29983 3/20 0.44
RAET1L Q5VY80 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
TACR1 P25103 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10150954 0.85 CES2 (0.50) CES2TP53ALDH1A1ACP3PNMT
SCHEMBL756263 0.85 CES2 (0.50) CES2TP53ALDH1A1ACP3PNMT
Hydrochloric Acid SCHEMBL6027743 0.84 CES2 (0.49) CES2TP53ALDH1A1ACP3PNMT
SCHEMBL8912591 0.82 CES2 (0.48) CES2TP53ALDH1A1L3MBTL1ACP3
SCHEMBL8908543 0.82 OPRM1 (0.45) CES2MEN1KMT2A
SCHEMBL8916533 0.81 CES2 (0.47) CES2TP53ALDH1A1ACP3PNMT
SCHEMBL10120515 0.80 ACP3 (0.41) TP53ALDH1A1L3MBTL1ACP3MEN1
SCHEMBL8908482 0.79 ALDH1A1 (0.47) ALDH1A1ACP3SLC6A2SLC6A4GAA
SCHEMBL13183621 0.78 MEN1 (0.45) CES2TP53ALDH1A1L3MBTL1ACP3
SCHEMBL8905685 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US 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 (4 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-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CES2 192/4885TP53 1162/4885ALDH1A1 365/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CES2 175/4885TP53 1613/4885ALDH1A1 229/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CES2 380/4885TP53 1514/4885ALDH1A1 287/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CES2 417/4885TP53 1348/4885ALDH1A1 132/4885

“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.