SCHEMBL2597349

SCHEMBL2597349

CC(C)(C)COC(=O)C(C)(C)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.56
KMT2A Q03164 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7943716 0.89 DGAT1 (0.37) DGAT1KMT2ACYP2C19
SCHEMBL3141601 0.81 DGAT1 (0.79) DGAT1KMT2A
SCHEMBL2597461 0.77 TSHR (0.37) KMT2ACYP2C19
SCHEMBL12306265 0.75 HDAC6 (0.36) DGAT1KMT2ACYP2C19
SCHEMBL1785142 0.74 CYP2C19 (0.36) KMT2ACYP2C19
SCHEMBL733594 0.74 PRKCA (0.43) KMT2ACYP2C19
SCHEMBL23293628 0.72 ALDH1A1 (0.36) KMT2ACYP2C19
Hydrogen Peroxide SCHEMBL28451976 0.72 PRKCA (0.42) KMT2ACYP2C19
SCHEMBL1735445 0.72 DGAT1 (1.00) DGAT1KMT2A
SCHEMBL232414 0.71 HTT (0.32) KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571862-B1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MAN CO LTD (JP) 2014-04-16 EP disclosed
US-8436009-B2 Prodrug of triazolone compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-07 US disclosed
EP-2571862-A1 PRODRUG OF TRIAZOLONE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-03-27 EP disclosed
US-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-28 US disclosed
WO-2011145747-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-24 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-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND F7, TFPI, TFPI2 DGAT1 3614/4885KMT2A 2484/4885CYP2C19 17/4885

“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.