SCHEMBL1608218

SCHEMBL1608218

O=C1OCc2cc(O)c(O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
MAOB P27338 5/20 0.48
MAOA P21397 5/20 0.48
PRF1 P14222 3/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TYMS P04818 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL19509223 0.92 CYP3A4 (0.50) CYP3A4MAPTLMNAGAAMAOB
SCHEMBL28619755 0.84 CYP3A4 (0.51) CYP3A4MAPTLMNAGAAMAOB
SCHEMBL16523540 0.84 CYP3A4 (0.51) CYP3A4MAPTLMNAGAAMAOB
SCHEMBL27094979 0.84 CYP3A4 (0.47) CYP3A4MAPTLMNAGAAMAOB
SCHEMBL32666728 0.84 CYP3A4 (0.47) CYP3A4MAPTLMNAGAAMAOB
SCHEMBL13412837 0.84 CYP3A4 (0.63) CYP3A4MAPTLMNAGAAMAOB
SCHEMBL30190209 0.80 CYP3A4 (0.47) CYP3A4MAPTLMNAGAAMAOB
SCHEMBL7000739 0.80 CYP3A4 (0.75) CYP3A4MAPTLMNAGAAMAOA
SCHEMBL26774121 0.80 MAPT (0.41) CYP3A4MAPTLMNAGAAMAOB
SCHEMBL26774120 0.80 MAPT (0.41) CYP3A4MAPTLMNAGAAMAOB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3035923-B1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES INC (US) 2019-09-25 EP disclosed
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 US disclosed
US-9963427-B2 Dithiol mucolytic agents PARION SCIENCES, INC. (US) 2018-05-08 US disclosed
US-9963427-B2 Dithiol mucolytic agents PARION SCIENCES, INC. (US) 2018-05-08 US disclosed
US-9963427-B2 Dithiol mucolytic agents PARION SCIENCES, INC. (US) 2018-05-08 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20160318861-A1 NOVEL PRODRUGS OF DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-11-03 US disclosed
US-20160318861-A1 NOVEL PRODRUGS OF DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-11-03 US disclosed
US-20160318861-A1 NOVEL PRODRUGS OF DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-11-03 US disclosed
WO-2015026601-A2 DITHIOL MUCOLYTIC AGENTS JOHNSON MICHAEL R (US) 2015-02-26 WO disclosed
US-20150056305-A1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2015-02-26 US disclosed
US-20150056305-A1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2015-02-26 US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO disclosed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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 (6 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-20150056305-A1 DITHIOL MUCOLYTIC AGENTS MUC1, DNASE1, MMP8 CYP3A4 3760/4885MAPT 3593/4885LMNA 3974/4885
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL CYP3A4 315/4885MAPT 1744/4885LMNA 2931/4885
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 CYP3A4 20/4885MAPT 1148/4885LMNA 3994/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 CYP3A4 3/4885MAPT 2131/4885LMNA 3538/4885
US-20160318861-A1 NOVEL PRODRUGS OF DITHIOL MUCOLYTIC AGENTS MUC1, MGMT, ESD CYP3A4 1700/4885MAPT 3339/4885LMNA 4656/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL CYP3A4 315/4885MAPT 1744/4885LMNA 2931/4885

“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.