SCHEMBL8444473

SCHEMBL8444473

COC(=O)c1c(C)nc(CCl)c(C2OC(C)O2)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.38
▸ ALPL P05186 1/20 0.38
▸ PLA2G2A P14555 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ DPP8 Q6V1X1 4/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ CNR1 P21554 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL2704427 0.81 PLA2G2A (0.44) DPP4ALPLPLA2G2ASLC6A3KDM4E
SCHEMBL8268871 0.79 MAPT (0.47) DPP4ALPLPLA2G2AKDM4EDPP8
SCHEMBL8444714 0.78 GSK3A (0.41) DPP4KDM4EDPP8CYP3A4DPP9
SCHEMBL28435242 0.74 MAPT (0.52) DPP4ALPLPLA2G2AKDM4EDPP8
SCHEMBL295426 0.69 MAPT (0.48) DPP4KDM4EDPP8DPP9MAPT
SCHEMBL4403200 0.69 MAPT (0.49) DPP4KDM4EDPP8DPP9MAPT
SCHEMBL28444974 0.68 DPP4 (0.42) DPP4ALPLPLA2G2AKDM4EDPP8
SCHEMBL364227 0.68 KDM4E (0.49) KDM4EMAPTCNR1SMN1; SMN2NPC1
SCHEMBL2706201 0.67 DPP4 (0.64) DPP4DPP8CYP3A4DPP9
SCHEMBL293409 0.67 GSK3A (0.44) DPP4ALPLPLA2G2AKDM4EDPP8

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
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — 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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 DPP4 1/4885ALPL 221/4885PLA2G2A 4427/4885

“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.

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