SCHEMBL3897103

SCHEMBL3897103

CC(C)Cc1nc2ccc(C(=O)O)cc2c(-c2c(F)cccc2F)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.47
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
PDPK1 O15530 1/20 0.35
CYP3A4 P08684 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
GRM2 Q14416 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL3907842 0.93 DPP4 (0.43) DPP4PDPK1CYP3A4SCN9ASCN10A
SCHEMBL3897759 0.92 DPP4 (0.45) DPP4ACACBACACAGRM2
SCHEMBL3902177 0.89 DPP4 (0.57) DPP4ACACBACACA
SCHEMBL3896982 0.86 DPP4 (0.66) DPP4
SCHEMBL3894202 0.85 DPP4 (0.43) DPP4GRM2BRD4
SCHEMBL5455725 0.83 DPP4 (0.45) DPP4CYP3A4SCN9ASCN10A
SCHEMBL3896466 0.82 DPP4 (0.55) DPP4
SCHEMBL3892661 0.81 DPP4 (0.60) DPP4
SCHEMBL3902192 0.79 DPP4 (0.57) DPP4
SCHEMBL5455502 0.78 BDKRB1 (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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 (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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR DPP4 13/4885ACACB 3861/4885ACACA 3891/4885

“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.