SCHEMBL8260772

SCHEMBL8260772

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1)C(=O)NS(=O)(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
ROCK2 O75116 2/20 0.36
CTSB P07858 1/20 0.33
CFD P00746 1/20 0.31
GRM4 Q14833 1/20 0.30

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
SCHEMBL12773145 0.90 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL6913445 0.90 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL13223877 0.90 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL3360649 0.90 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL12464414 0.90 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL12108567 0.90 CYP3A4 (0.65) CYP3A4CFD
SCHEMBL15668589 0.90 CYP3A4 (0.53) CYP3A4ROCK2CTSBCFDGRM4
SCHEMBL13247296 0.88 CYP3A4 (0.43) CYP3A4ROCK2CTSBGRM4
SCHEMBL14283027 0.88 CYP3A4 (0.43) CYP3A4ROCK2CTSBGRM4
SCHEMBL13385189 0.88 CYP3A4 (0.49) CYP3A4ROCK2CTSBGRM4

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
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
WO-2006086381-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-17 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-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CYP3A4 379/4885ROCK2 3795/4885CTSB 536/4885

“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.