SCHEMBL2894648

SCHEMBL2894648

C=CCCCCCCC(=O)N[C@@H](CCCCCC=C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.59
NOD1 Q9Y239 5/20 0.56
ALDH1A1 P00352 2/20 0.53
ABCC4 O15439 1/20 0.50
MAPT P10636 1/20 0.50
GNPAT O15228 1/20 0.50
LMNA P02545 1/20 0.45
FAAH O00519 5/20 0.44
EPHX2 P34913 2/20 0.43

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
SCHEMBL2897531 1.00 SLC6A5 (0.59) SLC6A5NOD1ALDH1A1ABCC4MAPT
SCHEMBL452803 0.91 ABCC4 (0.56) SLC6A5NOD1ALDH1A1ABCC4MAPT
SCHEMBL452804 0.91 ABCC4 (0.56) SLC6A5NOD1ALDH1A1ABCC4MAPT
SCHEMBL8254931 0.89 NOD1 (0.64) SLC6A5NOD1FAAHEPHX2
SCHEMBL5177232 0.88 ALDH1A1 (0.51) SLC6A5NOD1ALDH1A1ABCC4MAPT
SCHEMBL7043975 0.88 ALDH1A1 (0.51) SLC6A5NOD1ALDH1A1ABCC4MAPT
SCHEMBL6562048 0.86 FNTA (0.56) SLC6A5NOD1ALDH1A1ABCC4MAPT
SCHEMBL8254595 0.84 NOD1 (0.61) SLC6A5NOD1GNPATFAAH
SCHEMBL11856693 0.83 PLA2G2A (0.50) SLC6A5NOD1ALDH1A1ABCC4MAPT
SCHEMBL2695672 0.83 PLA2G2A (0.50) SLC6A5NOD1ALDH1A1ABCC4MAPT

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 SLC6A5 3854/4885NOD1 1125/4885ALDH1A1 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.