SCHEMBL2894902

SCHEMBL2894902

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
ABCC4 O15439 1/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TGM2 P21980 1/20 0.31
PDF Q9HBH1 1/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL13026190 0.86 KMT2A (0.35) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL13026184 0.86 KMT2A (0.35) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL13067386 0.83 CTSK (0.38) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL2457111 0.77 TGM2 (0.42) SLC6A5ALDH1A1LMNAMAPTUSP2
SCHEMBL2457118 0.77 TGM2 (0.42) SLC6A5ALDH1A1LMNAMAPTUSP2
SCHEMBL3111490 0.75 TGM2 (0.41) SLC6A5ALDH1A1LMNAMAPTUSP2
SCHEMBL3111499 0.75 TGM2 (0.41) SLC6A5ALDH1A1LMNAMAPTUSP2
SCHEMBL8083708 0.74
SCHEMBL4185064 0.74 EPHX2 (0.34) SLC6A5ALDH1A1LMNAMAPTABCC4
SCHEMBL4185072 0.74 EPHX2 (0.34) SLC6A5ALDH1A1LMNAMAPTABCC4

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 4 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-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 SLC6A5 3854/4885ALDH1A1 1199/4885LMNA 3730/4885

“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.