SCHEMBL13825142

SCHEMBL13825142

CCCCOC(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 4/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 2/20 0.36
CTSK P43235 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIN1 Q13526 1/20 0.34

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
SCHEMBL14234064 0.89 DPP4 (0.38) MMEL1SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL16310216 0.85 DPP4 (0.40) MMEL1SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL13084117 0.84 DPP4 (0.37) SMN1; SMN2RAB9AHPGDNPC1L3MBTL1
SCHEMBL3705644 0.83 DPP4 (0.44) MMEL1DPP4PIN1
SCHEMBL4751469 0.83 DPP4 (0.38) MMEL1DPP4ITGB3
SCHEMBL19510004 0.81 DPP4 (0.40) MMEL1DPP4CTSKITGB3ITGA2B
SCHEMBL699084 0.80 DPP4 (0.39) MMEL1DPP4PIN1
SCHEMBL699083 0.80 DPP4 (0.39) MMEL1DPP4PIN1
SCHEMBL342707 0.79 DPP4 (0.43) DPP4CTSKPIN1
SCHEMBL342708 0.79 DPP4 (0.43) DPP4CTSKPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912327-B2 Process for the production of sitagliptin CHEMO IBERICA, S.A. (ES) 2014-12-16 US disclosed
US-20140081026-A1 PROCESS FOR THE PRODUCTION OF SITAGLIPTIN CHEMO IBERICA S.A. (ES) 2014-03-20 US disclosed
WO-2012150328-A1 PROCESS FOR THE PRODUCTION OF SITAGLIPTIN CHEMO IBERICA, S.A. (ES) 2012-11-08 WO 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-20140081026-A1 PROCESS FOR THE PRODUCTION OF SITAGLIPTIN DPP4, DPP7, DPP3 MMEL1 1201/4885SMN1; SMN2 3354/4885RAB9A 3279/4885

“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.