SCHEMBL901563

SCHEMBL901563

COC(=O)N[C@@H](C(=O)O)[C@@H](C)OC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
TYR P14679 1/20 0.31
TGFBR1 P36897 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL6121051 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL901561 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL903751 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL241112 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL193140 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL12557071 0.86 HTT (0.38) PYGLCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL17327099 0.83
SCHEMBL5146050 0.83 CTSK (0.49) CTSSCTSK
SCHEMBL10660662 0.83 SMN1; SMN2 (0.38) PYGLCYP2C9ALDH1A1SMN1; SMN2TYR
SCHEMBL10398797 0.83 SMN1; SMN2 (0.38) PYGLCYP2C9ALDH1A1SMN1; SMN2TYR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9018390-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-28 US disclosed
US-8900566-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-8889726-B2 Chemica compounds GLAXOSMITHKLINE LLC (US) 2014-11-18 US disclosed
EP-2049114-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-10-01 EP disclosed
US-8846023-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP disclosed
US-20140050695-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-20 US disclosed
US-8642025-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-8574563-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-05 US disclosed
US-20130280211-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-24 US disclosed
EP-2621931-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION Merck Sharp & Dohme Corp. (US) 2013-08-07 EP disclosed
US-8492553-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-23 US disclosed
US-20130034520-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-07 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US disclosed
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 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 (7 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-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885ALDH1A1 1144/4885
US-20130034520-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885ALDH1A1 1144/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885ALDH1A1 1144/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885ALDH1A1 1144/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885ALDH1A1 1144/4885
US-20130280211-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885ALDH1A1 1144/4885
US-20140050695-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885ALDH1A1 1144/4885

“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.