Sugi Predict

Sugi Predict / Compounds / SCHEMBL2351580

SCHEMBL2351580

SCHEMBL2351580

CC(C)(C)OC(=O)N[C@@H](CC(=O)C1Cc2nc(C(F)(F)F)cn2CN1)Cc1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.40
▸ PREP P48147 1/20 0.34
▸ PIN1 Q13526 1/20 0.33
▸ SCN9A Q15858 3/20 0.33
▸ SGK1 O00141 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ LATS1 O95835 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ CSNK1A1 P48729 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
SCHEMBL2685887 0.81 DPP4 (0.43) DPP4PREPPIN1SCN9ASGK1
SCHEMBL1509229 0.80 DPP4 (0.46) DPP4PREPDPP8DPP7
SCHEMBL2686147 0.74 SCN9A (0.41) DPP4SCN9AAAK1DPP8DPP7
SCHEMBL2685859 0.72 DPP4 (0.47) DPP4DPP8DPP7
SCHEMBL1519632 0.72 PIN1 (0.55) PIN1PTPN1AAK1ATMCTSS
SCHEMBL738632 0.72 PIN1 (0.55) PIN1PTPN1AAK1ATMCTSS
SCHEMBL738631 0.72 PIN1 (0.55) PIN1PTPN1AAK1ATMCTSS
SCHEMBL13260255 0.69 ATM (0.48) PIN1SGK1ROCK2PRKD3LATS1
SCHEMBL5660653 0.69 ATM (0.48) PIN1SGK1ROCK2PRKD3LATS1
SCHEMBL1509310 0.67 DPP4 (0.47) DPP4SGK1ROCK2PRKD3LATS1

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-20150359793-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2015-12-17 — — US disclosed
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-20110190308-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — 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 (3 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-20110190308-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS DPP4, DPP3, DPP7 DPP4 1/4885PREP 25/4885PIN1 355/4885
US-20150359793-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885PREP 11/4885PIN1 177/4885
US-20100130504-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885PREP 11/4885PIN1 177/4885

“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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