SCHEMBL1620474

SCHEMBL1620474

C#Cc1cc(O)cc(C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 2/20 0.38
ABAT P80404 2/20 0.38
LCK P06239 1/20 0.36
KDM4E B2RXH2 2/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 1/20 0.34
EGFR P00533 2/20 0.34
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
AOX1 Q06278 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
XDH P47989 1/20 0.32
SRC P12931 1/20 0.32
NQO2 P16083 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 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
SCHEMBL3288586 0.84 EGFR (0.35) KDM4EPTGS2RAB9AEGFRALDH1A1
SCHEMBL3637772 0.79 EGFR (0.41) ALDH5A1ABATLCKKDM4EPTGS2
SCHEMBL9261197 0.77 LCK (0.58) ALDH5A1ABATLCKKDM4EPTGS2
SCHEMBL4575600 0.77 ALDH5A1 (0.52) ALDH5A1ABATLCKKDM4EPTGS2
SCHEMBL718437 0.77 BACE1 (0.50) LCKEGFRALDH1A1HPGDCA12
SCHEMBL2807680 0.77 BACE1 (0.41) LCKALDH1A1HPGDCA12CA1
SCHEMBL37131 0.77 LCK (0.58) ALDH5A1ABATLCKKDM4EPTGS2
SCHEMBL24216635 0.75 HSD17B10 (0.38) EGFRALDH1A1HSD17B10
SCHEMBL31653367 0.75 EGFR (0.32) EGFR
SCHEMBL30460212 0.75 HSD17B10 (0.38) EGFRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878045-B2 Triorthogonal reagents for dual protein conjugation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-01-30 US disclosed
US-9878045-B2 Triorthogonal reagents for dual protein conjugation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-01-30 US disclosed
US-9878045-B2 Triorthogonal reagents for dual protein conjugation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-01-30 US disclosed
US-20160271261-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-09-22 US disclosed
US-20160271261-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-09-22 US disclosed
US-20160271261-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-09-22 US disclosed
WO-2015057863-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-04-23 WO disclosed
WO-2015057863-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-04-23 WO disclosed
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
CN-101405275-A Triazolone Derivatives EISAI R&D MAN CO LTD (JP) 2009-04-08 CN disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US 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-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 ALDH5A1 1553/4885ABAT 4222/4885LCK 3471/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ALDH5A1 1582/4885ABAT 4040/4885LCK 3613/4885
US-20160271261-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION FNTA, FNTB, GNPAT ALDH5A1 1067/4885ABAT 963/4885LCK 2789/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH5A1 1875/4885ABAT 3701/4885LCK 3482/4885

“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.