SCHEMBL15069976

SCHEMBL15069976

CCCCNC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
BCL2 P10415 1/20 0.53
MCL1 Q07820 1/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NSD2 O96028 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
ALPL P05186 1/20 0.53
POLB P06746 1/20 0.53
ALPI P09923 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALPG P10696 1/20 0.53
APEX1 P27695 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
CASP6 P55212 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL27788015 0.93 NAAA (0.61) SMN1; SMN2L3MBTL1NAAAESR1
SCHEMBL15682852 0.93 NAAA (0.61) SMN1; SMN2L3MBTL1NAAAESR1
SCHEMBL27788014 0.93 NAAA (0.61) SMN1; SMN2L3MBTL1NAAAESR1
SCHEMBL10933369 0.93 NAAA (0.61) SMN1; SMN2L3MBTL1NAAAESR1
SCHEMBL27766436 0.93 NAAA (0.61) SMN1; SMN2L3MBTL1NAAAESR1
SCHEMBL27924881 0.93 NAAA (0.61) SMN1; SMN2L3MBTL1NAAAESR1
SCHEMBL20206982 0.89 KDM4E (0.57) SMN1; SMN2HTTL3MBTL1KDM4ENSD2
SCHEMBL16784750 0.89 KDM4E (0.61) SMN1; SMN2HTTL3MBTL1KDM4ENSD2
SCHEMBL13286803 0.89 KDM4E (0.61) SMN1; SMN2HTTL3MBTL1KDM4ENSD2
SCHEMBL24871959 0.87 KDM4E (0.59) HTTL3MBTL1KDM4ENSD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544952-B1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIV ANTWERPEN (BE) 2024-11-06 EP disclosed
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors UNIVERSITAIR ZIEKENHUIS ANTWERPEN (BE) 2020-08-11 US disclosed
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors UNIVERSITAIR ZIEKENHUIS ANTWERPEN (BE) 2020-08-11 US disclosed
US-20190284130-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2019-09-19 US disclosed
US-20190284130-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2019-09-19 US disclosed
WO-2018096088-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2018-05-31 WO disclosed
US-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 US disclosed
US-9517993-B2 Antagonists of the toll-like receptor 1/2 complex THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-12-13 US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US disclosed
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US disclosed
EP-2879669-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX The Regents of The University of Colorado, A Body Corporate (US) 2015-06-10 EP disclosed
WO-2014022287-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-06 WO disclosed
WO-2014022287-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-06 WO disclosed
US-20130164228-A1 COMPOSITIONS COMPRISING GALLATES AND GALLAMIDES COLGATE-PALMOLIVE COMPANY (US) 2013-06-27 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-20130164228-A1 COMPOSITIONS COMPRISING GALLATES AND GALLAMIDES CUTA, PGC, GTF3C5 SMN1; SMN2 4735/4885BCL2 1747/4885MCL1 2778/4885
US-20190284130-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS ATG4B, ATG7, ATG4A SMN1; SMN2 4724/4885BCL2 814/4885MCL1 1018/4885
US-20150251987-A1 ANTAGONISTS OF THE TOLL-LIKE RECEPTOR 1/2 COMPLEX TLR2, TLR1, TLR3 SMN1; SMN2 2472/4885BCL2 1626/4885MCL1 4555/4885
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors ATG4B, ATG7, BECN1 SMN1; SMN2 4651/4885BCL2 707/4885MCL1 879/4885

“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.