SCHEMBL2597461

SCHEMBL2597461

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
ELANE P08246 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL7943716 0.87 DGAT1 (0.37) CYP2C19KMT2A
SCHEMBL7894866 0.84 CYP2C9 (0.36) TSHRCYP2C19CYP2D6HIF1AELANE
Hydrogen Peroxide SCHEMBL28451976 0.80 PRKCA (0.42) CYP2C19ELANEALDH1A1KMT2A
Carbamic Acid SCHEMBL29228025 0.79 PRKCA (0.38) CYP2C19ELANEKMT2A
SCHEMBL1299895 0.78 CYP4F2 (0.44) TSHRCYP2C19CYP2D6HIF1AALDH1A1
SCHEMBL2597349 0.77 DGAT1 (0.56) CYP2C19KMT2A
SCHEMBL1785142 0.77 CYP2C19 (0.36) CYP2C19KMT2A
SCHEMBL733594 0.77 PRKCA (0.43) CYP2C19ELANEALDH1A1KMT2A
Lithium SCHEMBL30945444 0.76 CYP4F2 (0.42) TSHRCYP2C19CYP2D6HIF1AALDH1A1
Hydrochloric Acid SCHEMBL11066122 0.76 CYP4F2 (0.42) TSHRCYP2C19CYP2D6HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111448182-A Aztreonam derivative and application thereof 阿里萨制药有限公司 2020-07-24 CN disclosed
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
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
US-6331620-B1 AS POLYMERIZATION CATALYSTS FOR PRODUCING STEREOSPECIFIC HOMOPOLYMER OR COPOLYMER OF ALPHA-OLEFINS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-12-18 US disclosed
US-5270401-A Plastics composition based on a thermoplastic blend of a polyamide and a polyester DSM N.V. (NL) 1993-12-14 US disclosed
EP-0481556-A1 Plastics composition based on a thermoplastic blend of a polyamide and a polyester DSM N.V. (NL) 1992-04-22 EP 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 TSHR 1050/4885CYP2C19 17/4885CYP2D6 66/4885

“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.