SCHEMBL3893479

SCHEMBL3893479

Cc1ccc(-c2c(CNC(=O)OC(C)(C)C)c(CC(C)(C)C)nc3ccc(C=CC(=O)O)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.48
IP6K1 Q92551 2/20 0.43
IP6K3 Q96PC2 2/20 0.43
IP6K2 Q9UHH9 2/20 0.43
DPP9 Q86TI2 8/20 0.38
DPP8 Q6V1X1 6/20 0.38
AKR1C4 P17516 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37

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
SCHEMBL3893470 1.00 DPP4 (0.48) DPP4IP6K1IP6K3IP6K2DPP9
SCHEMBL3895305 0.92 DPP4 (0.48) DPP4IP6K1IP6K3IP6K2DPP9
SCHEMBL3895296 0.92 DPP4 (0.48) DPP4IP6K1IP6K3IP6K2DPP9
SCHEMBL3890620 0.90 DPP4 (0.61) DPP4
SCHEMBL3890613 0.90 DPP4 (0.61) DPP4
SCHEMBL3892554 0.89 DPP4 (0.46) DPP4IP6K1IP6K3IP6K2AKR1C4
SCHEMBL3892561 0.89 DPP4 (0.46) DPP4IP6K1IP6K3IP6K2AKR1C4
Hydrochloric Acid SCHEMBL3891991 0.83 DPP4 (0.65) DPP4IP6K1IP6K3IP6K2DPP9
Hydrochloric Acid SCHEMBL3891996 0.83 DPP4 (0.65) DPP4IP6K1IP6K3IP6K2DPP9
SCHEMBL3893478 0.79 DPP4 (0.57) DPP4DPP9DPP8

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 6 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-B8 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-10-29 EP 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
EP-1527049-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2005-05-04 EP disclosed
WO-2004014860-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR DPP4 13/4885IP6K1 4473/4885IP6K3 3592/4885

“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.