SCHEMBL13637939

SCHEMBL13637939

O=C(CC(=O)N1CCn2c(CF)nnc2C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.55
▸ DPP8 Q6V1X1 9/20 0.55
▸ DPP9 Q86TI2 3/20 0.48
▸ DPP7 Q9UHL4 3/20 0.48
▸ ACE P12821 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ FAP Q12884 1/20 0.48

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
SCHEMBL13472178 0.86 DPP4 (0.51) DPP4DPP8DPP9DPP7ACE
SCHEMBL214373 0.84 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL29558815 0.84 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL24713208 0.82 DPP4 (0.50) DPP4DPP8DPP9DPP7ACE
SCHEMBL15367709 0.81 DPP4 (0.66) DPP4DPP8DPP9DPP7ACE
SCHEMBL6877160 0.80 DPP4 (0.83) DPP4DPP8DPP9DPP7ACE
SCHEMBL16230987 0.80 DPP4 (0.83) DPP4DPP8DPP9DPP7ACE
SCHEMBL13637938 0.80 DPP4 (0.50) DPP4DPP8DPP9DPP7ACE
SCHEMBL16231055 0.80 DPP4 (0.83) DPP4DPP8DPP9DPP7ACE
SCHEMBL11948346 0.76 DPP4 (0.60) DPP4DPP8DPP9DPP7ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587229-B2 Immobilized transaminases and process for making and using immobilized transaminase MERCK SHARP & DOHME CORP. (US) 2017-03-07 — — US disclosed
US-9550982-B2 Transaminase biocatalysts CODEXIS, INC. (US) 2017-01-24 — — US disclosed
US-20160264948-A1 TRANSAMINASE BIOCATALYSTS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-09-15 — — US disclosed
US-9353355-B2 Transaminase biocatalysts CODEXIS, INC. (US) 2016-05-31 — — US disclosed
US-20150329838-A1 TRANSAMINASE BIOCATALYSTS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-11-19 — — US disclosed
US-9133445-B2 Transaminase biocatalysts CODEXIS, INC. (US) 2015-09-15 — — US disclosed
US-8969558-B2 Processes for the preparation of sitagliptin and pharmaceutically acceptable salts thereof DR. REDDY'S LABORATORIES LIMITED (IN) 2015-03-03 — — US disclosed
US-20150037869-A1 TRANSAMINASE BIOCATALYSTS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-02-05 — — US disclosed
US-8889380-B2 Transaminase biocatalysts CODEXIS, INC. (US) 2014-11-18 — — US disclosed
US-20140128607-A1 PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES, INC. (US) 2014-05-08 — — US disclosed
US-20130289276-A1 PROCESS FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC CONVERSION CADILA HEALTHCARE LIMITED (IN) 2013-10-31 — — US disclosed
US-7612072-B2 Amorphous form of a phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor MERCK & CO., INC. (US) 2009-11-03 — — 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 (2 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-20140128607-A1 PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DPP4, DPP9, DPP3 DPP4 1/4885DPP8 5/4885DPP9 2/4885
US-20130289276-A1 PROCESS FOR PREPARING AN INTERMEDIATE OF SITAGLIPTIN VIA ENZYMATIC CONVERSION DPP4, DPP7, DPP9 DPP4 1/4885DPP8 7/4885DPP9 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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