SCHEMBL8209372

SCHEMBL8209372

CCOC(=O)c1cc(-c2cccs2)cc(C(=O)OCC)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 5/20 0.56
CYP1A2 P05177 2/20 0.55
GAA P10253 5/20 0.51
HPGD P15428 2/20 0.51
CASP1 P29466 1/20 0.51
MAPT P10636 4/20 0.50
KEAP1 Q14145 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
POLB P06746 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL508571 0.79 KMT2A (0.61) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL5757892 0.79 KDM4E (0.62) KMT2AALDH1A1KDM4ECYP1A2GAA
SCHEMBL14720912 0.78 KMT2A (0.44) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL2003093 0.78 MAPT (0.55) KMT2AALDH1A1KDM4ECYP1A2GAA
SCHEMBL19180075 0.77 CYP1A2 (0.64) ALDH1A1KDM4ECYP1A2GAAHPGD
SCHEMBL21044590 0.77 KDM4E (0.58) KMT2AALDH1A1KDM4EMAPTTDP1
SCHEMBL288828 0.76 HDAC1 (0.54) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL17594962 0.75 CHEK2 (0.57) KMT2AALDH1A1KDM4ECYP1A2GAA
SCHEMBL16200398 0.75 KMT2A (0.56) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL18198492 0.75 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EGAAHPGD

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 10 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
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 KMT2A 4373/4885ALDH1A1 3650/4885KDM4E 3354/4885
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 KMT2A 1356/4885ALDH1A1 181/4885KDM4E 750/4885

“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.