SCHEMBL17595262

SCHEMBL17595262

CCOC(=O)c1cc(-c2ccc(Br)cc2)cc(C(=O)OCC)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 2/20 0.56
TARBP2 Q15633 1/20 0.55
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MCL1 Q07820 3/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL19194801 0.94 HTT (0.53) HTTSMN1; SMN2ALDH1A1CYP1A2TARBP2
SCHEMBL31315668 0.87 CYP1A2 (0.59) SMN1; SMN2ALDH1A1CYP1A2TARBP2GABRA2
SCHEMBL19180346 0.86 CYP1A2 (0.57) SMN1; SMN2ALDH1A1CYP1A2GABRA2GABRB2
SCHEMBL17594960 0.86 CYP1A2 (0.57) SMN1; SMN2ALDH1A1CYP1A2GABRA2GABRB2
SCHEMBL17595047 0.84 GABRA2 (0.59) SMN1; SMN2ALDH1A1CYP1A2TARBP2GABRA2
SCHEMBL19180075 0.84 CYP1A2 (0.64) SMN1; SMN2ALDH1A1CYP1A2TARBP2GABRA2
SCHEMBL841568 0.83 CYP1A2 (0.61) HTTSMN1; SMN2ALDH1A1CYP1A2TARBP2
SCHEMBL17595087 0.83 GAA (0.59) HTTSMN1; SMN2ALDH1A1CYP1A2TARBP2
SCHEMBL17595188 0.83 RXRA (0.55) SMN1; SMN2ALDH1A1CYP1A2GABRA2GABRB2
SCHEMBL30925059 0.82 HTT (0.53) HTTSMN1; SMN2ALDH1A1CYP1A2TARBP2

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
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 HTT 3746/4885SMN1; SMN2 3789/4885ALDH1A1 181/4885

“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.