SCHEMBL16505233

SCHEMBL16505233

O=C(O)NCCOc1cc2c(cc1OCCNC(=O)O)C(=O)OC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
MAOA P21397 12/20 0.43
MAOB P27338 11/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.37
ROCK2 O75116 1/20 0.37
MTNR1A P48039 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL16520535 0.83 CYP3A4 (0.47) CYP3A4MAPTKDM4ENR3C1PGR
SCHEMBL17771359 0.81 MAOA (0.44) CYP3A4MAOAMAOBMAPTKDM4E
SCHEMBL6202478 0.73 CYP3A4 (0.67) CYP3A4MAOAMAOBMAPTKDM4E
SCHEMBL25252214 0.69 CYP3A4 (0.42) CYP3A4MAOAMAOBMAPTKDM4E
SCHEMBL18185318 0.69 KCNJ1 (0.54) MAOAMAOBMAPTKDM4EROCK2
SCHEMBL25218002 0.69 MAOA (0.40) CYP3A4MAOAMAOBMAPTKDM4E
SCHEMBL16504461 0.68 KMT2A (0.39) KDM4EMTNR1A
Metameconine SCHEMBL800990 0.68 CYP3A4 (1.00) CYP3A4MAOAMAOBMAPTKDM4E
SCHEMBL25421184 0.68 KCNJ1 (0.52) MAOAMAOBMAPTKDM4ENR3C1
SCHEMBL27113318 0.66 PDK2 (0.55) MAOAMAOBMAPTNR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963427-B2 Dithiol mucolytic agents PARION SCIENCES, INC. (US) 2018-05-08 US disclosed
US-20160318861-A1 NOVEL PRODRUGS OF DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-11-03 US disclosed
US-20160194278-A1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-07-07 US disclosed
EP-3035923-A2 DITHIOL MUCOLYTIC AGENTS Parion Sciences, Inc. (US) 2016-06-29 EP disclosed
US-9346753-B2 Dithiol mucolytic agents PARION SCIENCES, INC. (US) 2016-05-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20160194278-A1 DITHIOL MUCOLYTIC AGENTS MUC1, DNASE1, MMP8 CYP3A4 3760/4885MAOA 975/4885MAOB 1212/4885
US-20150056305-A1 DITHIOL MUCOLYTIC AGENTS MUC1, DNASE1, MMP8 CYP3A4 3760/4885MAOA 975/4885MAOB 1212/4885
US-20160318861-A1 NOVEL PRODRUGS OF DITHIOL MUCOLYTIC AGENTS MUC1, MGMT, ESD CYP3A4 1700/4885MAOA 1361/4885MAOB 950/4885

“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.