SCHEMBL16504682

SCHEMBL16504682

CC(C)(C)OC(=O)NCCOc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA9 Q16790 5/20 0.58
PDK2 Q15119 1/20 0.54
IDO1 P14902 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BCHE P06276 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
SUCNR1 Q9BXA5 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL26518326 0.93 BCHE (0.52) CA12CA1CA2CA9PDK2
SCHEMBL19475821 0.92 CA12 (0.60) CA12CA1CA2CA9PDK2
SCHEMBL20919690 0.91 CA12 (0.61) CA12CA1CA2CA9PDK2
SCHEMBL25155264 0.91 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL30343966 0.91 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL13162350 0.90 CA12 (0.56) CA12CA1CA2CA9PDK2
SCHEMBL13162913 0.87 CA12 (0.58) CA12CA1CA2CA9PDK2
SCHEMBL16520527 0.87 CA12 (0.58) CA12CA1CA2CA9PDK2
SCHEMBL16522121 0.86 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL7399614 0.84 CA12 (0.55) CA12CA1CA2CA9PDK2

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 8 patents. 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-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 CA12 176/4885CA1 566/4885CA2 1000/4885
US-20150056305-A1 DITHIOL MUCOLYTIC AGENTS MUC1, DNASE1, MMP8 CA12 176/4885CA1 566/4885CA2 1000/4885
US-20160318861-A1 NOVEL PRODRUGS OF DITHIOL MUCOLYTIC AGENTS MUC1, MGMT, ESD CA12 319/4885CA1 624/4885CA2 2098/4885

“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.