SCHEMBL10120447

SCHEMBL10120447

COC(=O)N[C@@H](CC(=O)C(C)(C)C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CTRB1 P17538 3/20 0.48
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
APP P05067 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KLK5 Q9Y337 1/20 0.42
CTSS P25774 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
SCHEMBL8908191 1.00 ATM (0.52) ATMCTRB1CYP3A4MAPK1APP
SCHEMBL8908134 0.86 CTSG (0.50) ATMCTRB1CTSS
SCHEMBL7440669 0.85 CTRB1 (0.52) ATMCTRB1CYP3A4MAPK1NPC1
SCHEMBL753184 0.85 CTRB1 (0.52) ATMCTRB1CYP3A4MAPK1NPC1
SCHEMBL753199 0.85 CTRB1 (0.52) ATMCTRB1CYP3A4MAPK1NPC1
SCHEMBL890195 0.84 CTRB1 (0.51) ATMCTRB1CYP3A4MAPK1NPC1
SCHEMBL12979843 0.84 CTRB1 (0.51) ATMCTRB1CYP3A4MAPK1NPC1
SCHEMBL890231 0.84 CTRB1 (0.51) ATMCTRB1CYP3A4MAPK1NPC1
SCHEMBL8908068 0.81 CTSS (0.45) ATMCYP3A4CTSS
SCHEMBL888811 0.81 CTRB1 (0.52) ATMCTRB1CYP3A4MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 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 (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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ATM 4578/4885CTRB1 1254/4885CYP3A4 56/4885

“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.