SCHEMBL2597342

SCHEMBL2597342

COCOCC(C)(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
TSHR P16473 2/20 0.33
ACLY P53396 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL1158850 0.82
SCHEMBL8052693 0.82 CYP2C9 (0.42) CYP2C9TSHRACLYALDH1A1ACACB
SCHEMBL3687804 0.79 CYP2C9 (0.36) CYP2C9TSHRACLYALDH1A1ACACB
SCHEMBL3691934 0.79 CYP2C9 (0.36) CYP2C9TSHRACLYALDH1A1ACACB
SCHEMBL16862076 0.77 CYP2C9 (0.35) CYP2C9TSHRACLYALDH1A1ACACB
SCHEMBL15012335 0.77 CYP2C9 (0.35) CYP2C9TSHRACLYALDH1A1ACACB
SCHEMBL24361005 0.77
SCHEMBL2597411 0.77 CYP4F2 (0.32)
SCHEMBL4961008 0.75 CYP2C9 (0.39) CYP2C9TSHRACLYALDH1A1ACACB
SCHEMBL13104262 0.75 CYP2C9 (0.39) CYP2C9TSHRACLYALDH1A1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571862-A1 PRODRUG OF TRIAZOLONE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-03-27 EP claimed
WO-2011145747-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-24 WO claimed
EP-2571862-B1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MAN CO LTD (JP) 2014-04-16 EP disclosed
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
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
US-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-28 US 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
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 CYP2C9 31/4885TSHR 1050/4885ACLY 2751/4885

“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.