SCHEMBL2879744

SCHEMBL2879744

N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.65
LTA4H P09960 5/20 0.64
DPP4 P27487 4/20 0.64
DPP8 Q6V1X1 3/20 0.64
DPP9 Q86TI2 3/20 0.64
DPP7 Q9UHL4 3/20 0.64
FAP Q12884 2/20 0.64
TACR1 P25103 1/20 0.55
F2 P00734 1/20 0.53
PRSS1 P07477 1/20 0.53

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
SCHEMBL31164827 1.00 ACE (0.65) ACELTA4HDPP4DPP8DPP9
SCHEMBL28785114 1.00 ACE (0.65) ACELTA4HDPP4DPP8DPP9
SCHEMBL2879742 1.00 ACE (0.65) ACELTA4HDPP4DPP8DPP9
SCHEMBL6436643 0.96 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL3726264 0.96 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL5900809 0.96 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL7375090 0.96 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL31026624 0.96 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL3726263 0.96 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL29666849 0.96 ACE (0.70) ACELTA4HDPP4DPP8DPP9

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
US-7731949-B2 2010-06-08 US disclosed
EP-2076264-A2 COMPOUNDS AND METHODS FOR TREATMENT OF HCV XTL Biopharmaceuticals LTD (US) 2009-07-08 EP disclosed
US-20090041723-A1 Compounds and methods for treatment of HCV XTL BIOPHARMACEUTICALS LTD. (IL) 2009-02-12 US disclosed
WO-2008048589-A2 COMPOUNDS AND METHODS FOR TREATMENT OF HCV XTL BIOPHARMACEUTICALS LTD (US) 2008-04-24 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-20090041723-A1 Compounds and methods for treatment of HCV HAVCR2, EIF2AK2, MAVS ACE 241/4885LTA4H 1974/4885DPP4 25/4885

“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.