SCHEMBL17595083

SCHEMBL17595083

CCOC(=O)c1cc(-c2cc(Cl)ccc2OCC)cc(C(=O)OCC)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 4/20 0.50
ANO1 Q5XXA6 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
GABRA2 P47869 8/20 0.46
GABRB2 P47870 8/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.45
TARBP2 Q15633 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL5377655 0.90 GABRA2 (0.47) AGPAT2ANO1LMNAMAPK1CYP1A2
SCHEMBL21044449 0.87 AGPAT2 (0.52) AGPAT2PTGDR2DHFR
SCHEMBL17595047 0.79 GABRA2 (0.59) LMNACYP1A2GABRA2GABRB2TARBP2
SCHEMBL4364443 0.78 GAA (0.50) LMNAMAPK1GAAMAPT
SCHEMBL3327719 0.75 CYP1A2 (0.61) MAPK1CYP1A2GABRA2GABRB2MAPT
SCHEMBL19194799 0.75 GABRA2 (0.54) LMNACYP1A2GABRA2GABRB2TARBP2
SCHEMBL11626779 0.74 KDM4E (0.53) LMNAGABRA2GABRB2GAAMAPT
Trifluoroacetic Acid SCHEMBL5389154 0.73 AGPAT2 (0.60) AGPAT2PTGDR2DHFR
SCHEMBL1546491 0.72 MAPK1 (0.50) MAPK1GAAMAPT
SCHEMBL30850464 0.72 EIF4EBP1 (0.48) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP claimed
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2017-08-03 US claimed
EP-3191451-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME Okinawa Institute of Science and Technology School Corporation (JP) 2017-07-19 EP claimed
WO-2016038890-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2016-03-17 WO claimed

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-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 AGPAT2 771/4885ANO1 1415/4885LMNA 3254/4885

“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.