SCHEMBL2896676

SCHEMBL2896676

C=CCCCCC[C@H](NC(=O)OC[C@H](C)CC=C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
USP2 O75604 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TGM2 P21980 10/20 0.40
LMNA P02545 2/20 0.39
SLC6A5 Q9Y345 1/20 0.39
RECQL P46063 1/20 0.39
ABCC4 O15439 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
FAAH O00519 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
SCHEMBL2894392 1.00 MAPT (0.40) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2894460 0.91 USP2 (0.41) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2892856 0.91 USP2 (0.41) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1445653 0.90 SMN1; SMN2 (0.44) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2458923 0.81 TGM2 (0.42) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2891734 0.81 TGM2 (0.42) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2458918 0.81 TGM2 (0.42) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2888631 0.81 TGM2 (0.42) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL865337 0.81 ALDH1A1 (0.47) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL865338 0.81 ALDH1A1 (0.47) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2

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 7 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

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 MAPT 4330/4885USP2 519/4885ALDH1A1 1199/4885

“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.