SCHEMBL5117593

SCHEMBL5117593

CC(C)OC(=O)N1CSC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.55
PREP P48147 1/20 0.38
DPP4 P27487 2/20 0.35
RAB9A P51151 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ATM Q13315 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5494135 0.84 ACE (0.54) ACEPREPDPP4RAB9ADPP8
Telmesteine SCHEMBL637246 0.78 ACE (0.53) ACEPREPRAB9AATM
Telmesteine SCHEMBL1425417 0.78 ACE (0.53) ACEPREPRAB9AATM
SCHEMBL202301 0.77 ACE (0.48) ACEPREPATMHSD17B10
SCHEMBL1022969 0.77 ACE (0.48) ACEPREPATMHSD17B10
SCHEMBL202300 0.77 ACE (0.48) ACEPREPATMHSD17B10
SCHEMBL6482583 0.76 ACE (0.57) ACEPREPDPP4RAB9ADPP8
SCHEMBL5778845 0.76 ACE (0.57) ACEPREPDPP4RAB9ADPP8
SCHEMBL1444662 0.76 ACE (0.57) ACEPREPDPP4RAB9ADPP8
SCHEMBL11003689 0.76 ACE (0.71) ACEDPP4DPP8DPP7HSD17B10

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-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B ACE 788/4885PREP 436/4885DPP4 1486/4885

“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.