SCHEMBL2046733

SCHEMBL2046733

C=CCS[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@@H](C(=O)O)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.38
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
ACE P12821 1/20 0.36
NR1I2 O75469 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL2046737 1.00 ELANE (0.38) ELANEVHLELOCELOBACE
SCHEMBL2052878 0.94 ELANE (0.37) ELANEVHLELOCELOBNR1I2
SCHEMBL2052881 0.94 ELANE (0.37) ELANEVHLELOCELOBNR1I2
SCHEMBL2052879 0.94 ELANE (0.37) ELANEVHLELOCELOBNR1I2
SCHEMBL1434005 0.88 ELANE (0.41) ELANEVHLELOCELOBACE
SCHEMBL1434008 0.88 ELANE (0.41) ELANEVHLELOCELOBACE
SCHEMBL1433869 0.87 ELANE (0.38) ELANEVHLELOCELOBACE
SCHEMBL1433868 0.87 ELANE (0.38) ELANEVHLELOCELOBACE
SCHEMBL12646096 0.87 ELANE (0.38) ELANEVHLELOCELOBACE
SCHEMBL1433778 0.86 ELANE (0.42) ELANEVHLELOCELOBACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300490-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-04 EP disclosed
EP-2365980-B1 HCV inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-04-17 EP disclosed
US-8283310-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-09 US disclosed
US-8283310-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-09 US disclosed
US-8283310-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-09 US disclosed
EP-2365980-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-09-21 EP disclosed
US-7964560-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-21 US disclosed
US-7964560-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-21 US disclosed
US-7964560-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-21 US disclosed
WO-2010077783-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-08 WO disclosed
US-20100150866-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-17 US disclosed
US-20100150866-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-17 US disclosed
US-20100150866-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-17 US disclosed
US-20090304626-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090304626-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090304626-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 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 (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-20090304626-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL ELANE 1285/4885VHL 3152/4885ELOC 810/4885
US-20100150866-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL ELANE 1285/4885VHL 3152/4885ELOC 810/4885

“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.