SCHEMBL749409

SCHEMBL749409

N/C(=C/C(=O)O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PDPK1 O15530 1/20 0.35
DPP4 P27487 15/20 0.33
RORC P51449 1/20 0.33
CYP3A4 P08684 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL749408 1.00 HDAC1 (0.35) HDAC1HDAC8PDPK1DPP4RORC
SCHEMBL749410 1.00 HDAC1 (0.35) HDAC1HDAC8PDPK1DPP4RORC
SCHEMBL30136575 1.00 HDAC1 (0.35) HDAC1HDAC8PDPK1DPP4RORC
SCHEMBL13780810 0.84 DPP4 (0.36) HDAC1HDAC8DPP4RORCFAP
SCHEMBL5643743 0.81 MAPK8 (0.46) PDPK1
SCHEMBL5643739 0.81 MAPK8 (0.46) PDPK1
SCHEMBL5643735 0.81 MAPK8 (0.46) PDPK1
SCHEMBL2861837 0.80 DPP4 (0.41) HDAC1HDAC8DPP4RORCDPP8
SCHEMBL742800 0.80 DPP4 (0.41) HDAC1HDAC8DPP4RORCDPP8
SCHEMBL29738305 0.80 DPP4 (0.41) HDAC1HDAC8DPP4RORCDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010131025-A1 SITAGLIPTIN SYNTHESIS GENERICS [UK] LIMITED (GB) 2010-11-18 WO claimed
US-8846916-B2 Sitagliptin synthesis GENERICS [UK] LIMITED (GB) 2014-09-30 US disclosed
US-20120108598-A1 SITAGLIPTIN SYNTHESIS MYLAN INDIA PRIVATE LIMITED (IN) 2012-05-03 US disclosed
EP-2430025-A1 SITAGLIPTIN SYNTHESIS Generics [UK] Limited (GB) 2012-03-21 EP disclosed
WO-2010131025-A1 SITAGLIPTIN SYNTHESIS GENERICS [UK] LIMITED (GB) 2010-11-18 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-20120108598-A1 SITAGLIPTIN SYNTHESIS DPP4, DPP7, DPP3 HDAC1 3285/4885HDAC8 3312/4885PDPK1 2846/4885

“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.