SCHEMBL3426850

SCHEMBL3426850

COC(=O)CN1C(=O)CN(C(=O)CC(Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.47
SCN9A Q15858 6/20 0.40
CYP3A4 P08684 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36

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
SCHEMBL3428531 0.93 DPP4 (0.45) DPP4SCN9ASIRT5
SCHEMBL3432056 0.89 DPP4 (0.45) DPP4SCN9A
SCHEMBL3427590 0.88 DPP4 (0.50) DPP4SCN9A
SCHEMBL3764856 0.81 DPP4 (0.48) DPP4SCN9A
SCHEMBL3763519 0.80 CASP6 (0.47) DPP4SCN9A
SCHEMBL3773275 0.80 DPP4 (0.41) DPP4SCN9ASIRT5
SCHEMBL3763506 0.78 DPP4 (0.38) DPP4SCN9A
SCHEMBL3763510 0.78 DPP4 (0.38) DPP4SCN9A
SCHEMBL3776139 0.77 DPP4 (0.47) DPP4
SCHEMBL3776140 0.77 DPP4 (0.47) DPP4

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
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
EP-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 DPP4 1/4885SCN9A 2246/4885CYP3A4 8/4885

“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.