SCHEMBL10140545

SCHEMBL10140545

CCC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.49
ATM Q13315 1/20 0.47
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
MME P08473 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
SCHEMBL13255630 1.00 CTRB1 (0.49) CTRB1ATMCYP3A4MAPK1NPC1
SCHEMBL12980506 1.00 CTRB1 (0.49) CTRB1ATMCYP3A4MAPK1NPC1
SCHEMBL753199 0.86 CTRB1 (0.52) CTRB1ATMCYP3A4MAPK1NPC1
SCHEMBL7440669 0.86 CTRB1 (0.52) CTRB1ATMCYP3A4MAPK1NPC1
SCHEMBL753184 0.86 CTRB1 (0.52) CTRB1ATMCYP3A4MAPK1NPC1
SCHEMBL8917994 0.86 CTSG (0.54) CTRB1NPC1RAB9A
SCHEMBL12979843 0.85 CTRB1 (0.51) CTRB1ATMCYP3A4MAPK1NPC1
SCHEMBL890195 0.85 CTRB1 (0.51) CTRB1ATMCYP3A4MAPK1NPC1
SCHEMBL890231 0.85 CTRB1 (0.51) CTRB1ATMCYP3A4MAPK1NPC1
SCHEMBL17192893 0.84 HPGD (0.56) CTRB1ATMCYP3A4MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CTRB1 1254/4885ATM 4578/4885CYP3A4 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.