SCHEMBL1407820

SCHEMBL1407820

CC(=O)C(=Cc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL1407819 1.00 GABRA1 (0.53) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL5597364 0.90 TDP1 (0.53) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL8257981 0.85 GABRA1 (0.51) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL1407948 0.85 GABRA1 (0.51) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL1407949 0.85 GABRA1 (0.51) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL7979263 0.84 CA1 (0.56) GABRA1GABRG2GABRB3MAPTALDH1A1
SCHEMBL7822858 0.83 GABRA1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL7822855 0.83 GABRA1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL4460122 0.83 GABRA1 (0.49) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL4460115 0.83 GABRA1 (0.49) GABRA1GABRG2GABRB3TDP1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423362-A Preparation method of two high-purity clevidipine butyrate impurities 山东省药学科学院 2020-07-17 CN disclosed
EP-1836206-B1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2011-03-09 EP disclosed
US-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed
EP-1836206-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Bristol-Myers Squibb Company (US) 2007-09-26 EP disclosed
US-20060178377-A1 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 US disclosed
WO-2006071752-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 WO disclosed
US-4621082-A Pyridopyrimidines, pharmaceutical compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 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-20060178377-A1 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 GABRA1 3702/4885GABRG2 2769/4885GABRB3 2699/4885

“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.