SCHEMBL294736

SCHEMBL294736

CCOC(=O)C1=C(CCl)NC(C)=C(C(=O)O)C1c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
ABCC1 P33527 1/20 0.49
CYP2C9 P11712 3/20 0.47
TBXA2R P21731 3/20 0.47
ADRA1A P35348 3/20 0.47
SLC6A3 Q01959 3/20 0.47
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ABCB11 O95342 2/20 0.47
ABCB1 P08183 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADRB3 P13945 2/20 0.47
OPRK1 P41145 2/20 0.47
SCN5A Q14524 2/20 0.47

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
SCHEMBL8268872 0.90 CYP2C9 (0.60) MAPK1ABCC1CYP2C9TBXA2RADRA1A
SCHEMBL8268883 0.89 MAPK1 (0.53) MAPK1ABCC1CYP2C9TBXA2RADRA1A
SCHEMBL3016247 0.85 MAPK1 (0.70) MAPK1ABCC1CYP2C9TBXA2RADRA1A
SCHEMBL2704428 0.83 MAPK1 (0.51) MAPK1ABCC1CYP2C9TBXA2RADRA1A
SCHEMBL7376961 0.81 ALDH1A1 (0.49) MAPK1CYP2C9TBXA2RADRA1ASLC6A3
SCHEMBL28939503 0.81 MAPK1 (0.49) MAPK1ABCC1KDM4EHSD17B10TP53
SCHEMBL7375366 0.81 TBXA2R (0.67) ABCC1CYP2C9TBXA2RADRA1ASLC6A3
SCHEMBL9513394 0.79 ABCC1 (0.58) MAPK1ABCC1CYP2C9CYP3A4KDM4E
SCHEMBL28438034 0.78 ALDH1A1 (0.55) MAPK1CYP2C9TBXA2RADRA1ASLC6A3
SCHEMBL8258493 0.77 MAPK1 (0.53) MAPK1

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 8 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
EP-2086975-B1 7,8-DIHYDRO-1,6-NAPHTHYRIDIN-5(6H)-ONES AND RELATED BICYCLIC COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-03-14 EP disclosed
US-7723355-B2 7,8-dihydro-1,6-naphthyridin-5(6H)-ones and related bicyclic compounds as inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
US-20090149492-A1 7,8-DIHYDRO-1,6-NAPHTHYRIDIN-5(6H)-ONES AND RELATED BICYCLIC COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-06-11 US disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
EP-1888589-A2 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Brystol-Myers Squibb Company (US) 2008-02-20 EP disclosed
WO-2006127287-A2 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO 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 (2 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 MAPK1 3319/4885ABCC1 461/4885CYP2C9 952/4885
US-20090149492-A1 7,8-DIHYDRO-1,6-NAPHTHYRIDIN-5(6H)-ONES AND RELATED BICYCLIC COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS DPP4, DPP7, DPP8 MAPK1 3125/4885ABCC1 514/4885CYP2C9 163/4885

“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.