SCHEMBL1273161

SCHEMBL1273161

C=CCOC(=O)N[C@@H](CCCC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.48
TSHR P16473 1/20 0.44
NOD1 Q9Y239 3/20 0.43
CASP1 P29466 5/20 0.42
HDAC2 Q92769 1/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA2 P00918 1/20 0.39

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
SCHEMBL18100018 0.95 TGM2 (0.50) TGM2TSHRNOD1CASP1SIRT2
SCHEMBL1273690 0.88 TGM2 (0.47) TGM2NOD1HDAC2CTSSCTSL
SCHEMBL731863 0.87 TGM2 (0.46) TGM2NOD1HDAC2CTSSCTSL
SCHEMBL3512595 0.87 TGM2 (0.46) TGM2NOD1HDAC2CTSSCTSL
SCHEMBL3253857 0.86 TGM2 (0.45) TGM2NOD1HDAC2CTSK
SCHEMBL11001505 0.85 CASP1 (0.45) TGM2CASP1
SCHEMBL7605714 0.85 FOLH1 (0.44) TGM2CASP1
SCHEMBL21315776 0.85 FOLH1 (0.44) TGM2CASP1
SCHEMBL3311510 0.85 NOD1 (0.46) TGM2NOD1CTSK
SCHEMBL13679273 0.85 NOD1 (0.46) TGM2NOD1CTSK

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-1879607-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
EP-1879607-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
US-7879797-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-7879797-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20090075869-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
US-20090075869-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
EP-1879607-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-01-23 EP disclosed
WO-2006119061-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2006-11-09 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-20090075869-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC TGM2 720/4885TSHR 4610/4885NOD1 1125/4885

“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.