SCHEMBL2685887

SCHEMBL2685887

CCc1nnc2n1CNC(C(=O)C[C@@H](Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.43
▸ DPP8 Q6V1X1 4/20 0.43
▸ DPP7 Q9UHL4 2/20 0.43
▸ PREP P48147 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ SGK1 O00141 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ LATS1 O95835 1/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ PRKCB P05771 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ PRKACB P22694 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32

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
SCHEMBL2351580 0.81 DPP4 (0.40) DPP4DPP8DPP7PREPATM
SCHEMBL1509260 0.79 DPP4 (0.67) DPP4DPP8DPP7
SCHEMBL2685859 0.78 DPP4 (0.47) DPP4DPP8DPP7
SCHEMBL1519632 0.72 PIN1 (0.55) ATMPIN1PTPN1AAK1
SCHEMBL738631 0.72 PIN1 (0.55) ATMPIN1PTPN1AAK1
SCHEMBL738632 0.72 PIN1 (0.55) ATMPIN1PTPN1AAK1
SCHEMBL2686147 0.71 SCN9A (0.41) DPP4DPP8DPP7SCN9AAAK1
SCHEMBL13260255 0.70 ATM (0.48) ATMPIN1SGK1ROCK2PRKD3
SCHEMBL5660653 0.70 ATM (0.48) ATMPIN1SGK1ROCK2PRKD3
SCHEMBL5651226 0.68 DPP4 (0.41) DPP4DPP8DPP7ATMPIN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168637-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2012-05-01 — — US disclosed
US-20100130504-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-05-27 — — 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-20100130504-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885

“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.

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