SCHEMBL2597207

SCHEMBL2597207

COc1cc(O)c(F)c(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.58
TRIM24 O15164 1/20 0.58
TYR P14679 1/20 0.58
TRIM33 Q9UPN9 1/20 0.58
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3645435 0.81 ERN1 (0.61) ERN1TRIM24TYRTRIM33CYP3A4
SCHEMBL28292328 0.81 ERN1 (0.61) ERN1TRIM24TYRTRIM33CYP3A4
SCHEMBL23850354 0.81 ERN1 (0.47) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL3855768 0.81 ERN1 (0.43) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL1619656 0.79 ALDH1A1 (0.56) ERN1TRIM24TYRTRIM33CYP3A4
SCHEMBL28607913 0.79 PRKDC (0.48) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL4615908 0.79 ERN1 (0.59) ERN1TRIM24TYRTRIM33CYP3A4
SCHEMBL12311286 0.79 CYP3A4 (0.63) ERN1TRIM24TYRTRIM33CYP3A4
SCHEMBL8764469 0.78 ESR1 (0.44) ERN1TRIM24TYRTRIM33CA1
SCHEMBL7285302 0.78 ERN1 (0.62) ERN1TRIM24TYRTRIM33ALDH1A1

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 20 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
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
US-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-28 US disclosed
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP 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-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 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 (4 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 ERN1 2075/4885TRIM24 3947/4885TYR 2135/4885
US-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 ERN1 3507/4885TRIM24 4366/4885TYR 1087/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 ERN1 3507/4885TRIM24 4366/4885TYR 1087/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ERN1 1107/4885TRIM24 3275/4885TYR 981/4885

“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.