SCHEMBL2300012

SCHEMBL2300012

Cc1cc(Cl)cc(C=O)c1OCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ MCL1 Q07820 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PTGDR2 Q9Y5Y4 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ERN1 O75460 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11570516 0.85 KDM4E (0.55) KDM4EMCL1HPGDPTGDR2KMT2A
SCHEMBL2556737 0.84 TDP1 (0.49) KDM4EHPGDPTGDR2KMT2AALDH1A1
SCHEMBL5883425 0.82 KDM4E (0.66) KDM4EHPGDPTGDR2ALDH1A1CYP1A2
SCHEMBL29951244 0.82 ERN1 (0.50) KDM4EHPGDPTGDR2KMT2AALDH1A1
SCHEMBL1890174 0.81 KDM4E (0.57) KDM4EMCL1HPGDKMT2AALDH1A1
SCHEMBL2300015 0.78 ERN1 (0.46) KDM4EHPGDKMT2AALDH1A1CYP1A2
SCHEMBL2192939 0.77 PTGDR2 (0.39) KDM4EMCL1HPGDPTGDR2ALDH1A1
SCHEMBL28743394 0.77 MRGPRX4 (0.51) HPGDKMT2AALDH1A1ERN1HTT
SCHEMBL146965 0.76 SRC (0.50) MCL1HPGDPTGDR2KMT2AALDH1A1
SCHEMBL415808 0.75 ERN1 (0.51) KDM4EMCL1HPGDKMT2AALDH1A1

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
US-9340529-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2016-05-17 — — US disclosed
US-8802864-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2014-08-12 — — US disclosed
US-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-04-10 — — US disclosed
EP-2538787-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-01-02 — — EP disclosed
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-12-13 — — US disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 — — 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-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 KDM4E 1728/4885MCL1 1114/4885HPGD 951/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 KDM4E 1881/4885MCL1 882/4885HPGD 769/4885

“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.

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