SCHEMBL5000436

SCHEMBL5000436

C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
CTSB P07858 1/20 0.55
PPP3CB P16298 1/20 0.55
ABCC1 P33527 1/20 0.40
ABCC2 Q92887 1/20 0.40
ABCG2 Q9UNQ0 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
SCHEMBL13997826 1.00 CYP3A4 (0.60) CYP3A4CTSBPPP3CBABCC1ABCC2
SCHEMBL8275350 1.00 CYP3A4 (0.60) CYP3A4CTSBPPP3CBABCC1ABCC2
SCHEMBL845223 1.00 CYP3A4 (0.60) CYP3A4CTSBPPP3CBABCC1ABCC2
SCHEMBL8351109 1.00 CYP3A4 (0.60) CYP3A4CTSBPPP3CBABCC1ABCC2
SCHEMBL14031119 0.96 CYP3A4 (0.59) CYP3A4CTSBPPP3CB
SCHEMBL375308 0.96 CTSB (0.56) CYP3A4CTSBPPP3CBABCC1ABCC2
SCHEMBL7724759 0.94 CYP3A4 (0.53) CYP3A4CTSBPPP3CBABCC1ABCC2
SCHEMBL12161229 0.94 CYP3A4 (0.53) CYP3A4CTSBPPP3CBABCC1ABCC2
SCHEMBL14264362 0.94 CYP3A4 (0.53) CYP3A4CTSBPPP3CBABCC1ABCC2
SCHEMBL13707597 0.94 CYP3A4 (0.53) CYP3A4CTSBPPP3CBABCC1ABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505945-B1 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-11-05 EP disclosed
EP-1337550-B1 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 US disclosed
US-6872805-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-29 US disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
EP-1337550-A2 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-27 EP disclosed
US-20020111313-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US disclosed
WO-2002060926-A2 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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 (2 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-20020111313-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP CYP3A4 3102/4885CTSB 188/4885PPP3CB 171/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP CYP3A4 2730/4885CTSB 203/4885PPP3CB 214/4885

“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.