SCHEMBL2895285

SCHEMBL2895285

C=CCCCCC[C@H](NC(=O)N1CC[C@H](OCCCC=C)C1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.33
POLB P06746 2/20 0.33
CPB2 Q96IY4 1/20 0.32
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
NAMPT P43490 1/20 0.31
C3AR1 Q16581 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
ITGAV P06756 1/20 0.30
ITGB6 P18564 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
SCHEMBL3309650 0.82 REN (0.31) LSSNAMPT
SCHEMBL3304630 0.82 REN (0.31) LSSNAMPT
SCHEMBL1073190 0.81 REN (0.33) LSSNAMPT
SCHEMBL7997019 0.81 NAMPT (0.38) LSSNAMPT
SCHEMBL30094731 0.79 LSS (0.40) LSSNAMPT
SCHEMBL21767675 0.77 LSS (0.39) LSSNAMPT
SCHEMBL21767671 0.77 LSS (0.39) LSSNAMPT
SCHEMBL12963756 0.77 REN (0.34)
SCHEMBL7996522 0.75 LSS (0.36) LSSNAMPT
SCHEMBL1068683 0.74 F2 (0.34) LSSPOLBNAMPT

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-2083844-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-11-27 EP disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
US-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
US-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 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-20100286185-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC LSS 572/4885POLB 2914/4885CPB2 115/4885

“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.