SCHEMBL25304263

SCHEMBL25304263

O=C(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)cc(F)c1F

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.69
▸ DPP8 Q6V1X1 11/20 0.56
▸ DPP9 Q86TI2 3/20 0.54
▸ DPP7 Q9UHL4 2/20 0.54
▸ ACE P12821 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ FAP Q12884 1/20 0.54

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
SCHEMBL25840245 0.91 DPP4 (0.57) DPP4DPP8DPP9DPP7ACE
SCHEMBL29558815 0.87 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL214373 0.87 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL18774237 0.82 DPP4 (0.64) DPP4DPP8DPP9DPP7ACE
SCHEMBL1409245 0.82 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL25842321 0.81 DPP4 (0.76) DPP4DPP8DPP9DPP7ACE
SCHEMBL16993649 0.79 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL8223780 0.79 DPP4 (0.53) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL3513247 0.78 DPP4 (0.86) DPP4DPP8DPP9DPP7ACE
SCHEMBL8223854 0.77 DPP4 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227457-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN AARTI PHARMALABS LIMITED (IN) 2023-07-20 — — US disclosed
US-20230227457-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN AARTI PHARMALABS LIMITED (IN) 2023-07-20 — — US disclosed
US-20230227457-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN AARTI PHARMALABS LIMITED (IN) 2023-07-20 — — US disclosed
EP-4164620-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN Aarti Industries Limited (IN) 2023-04-19 — — 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-20230227457-A1 IMPROVED PROCESS FOR PREPARATION OF SITAGLIPTIN DPP4, DPP9, DPP8 DPP4 1/4885DPP8 3/4885DPP9 2/4885

“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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