SCHEMBL4518003

SCHEMBL4518003

O=C(O)N[C@H](CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)C[C@H](Cc5cccs5)NC(=O)O)[nH]4)cc3)cc2)[nH]1)Cc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 10/20 0.53
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
KCNH2 Q12809 2/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
OPRK1 P41145 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45

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
SCHEMBL4515762 1.00 PRCP (0.53) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL16343878 1.00 PRCP (0.53) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL4552405 1.00 PRCP (0.53) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1747531 0.93 PRCP (0.50) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12175083 0.91 CYP3A4 (0.59) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12175076 0.91 CYP3A4 (0.59) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL19578375 0.91 CYP3A4 (0.57) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL19578397 0.91 CYP3A4 (0.57) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL4526483 0.89 KCNH2 (0.66) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL4522461 0.89 KCNH2 (0.66) PRCPCYP3A4CYP2C9KCNH2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US claimed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US claimed
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP claimed
EP-2049522-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP claimed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO claimed
US-8900566-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (3 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885CYP2C9 2585/4885

“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.