SCHEMBL17987635

SCHEMBL17987635

CC(C)(C)OC(=O)NCCOc1ccc(CS)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.64
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
CA9 Q16790 5/20 0.64
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
PDK2 Q15119 1/20 0.50
SUCNR1 Q9BXA5 5/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
IDO1 P14902 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC5A1 P13866 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
BCHE P06276 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL17974332 0.87 CA12 (0.66) CA12CA1CA2CA9ITGB3
SCHEMBL17974334 0.87 CA12 (0.66) CA12CA1CA2CA9ITGB3
SCHEMBL3683825 0.86 CA12 (0.64) CA12CA1CA2CA9ITGB3
SCHEMBL18226889 0.86 CA12 (0.68) CA12CA1CA2CA9ITGB3
SCHEMBL13907700 0.85 ALDH1A1 (0.68) CA12CA1CA2CA9ITGB3
SCHEMBL926118 0.85 CA12 (0.63) CA12CA1CA2CA9ITGB3
SCHEMBL15391900 0.85 CA12 (0.63) CA12CA1CA2CA9ITGB3
SCHEMBL15392142 0.85 CA12 (0.63) CA12CA1CA2CA9ITGB3
SCHEMBL17974302 0.84 CA12 (0.53) CA12CA1CA2CA9PDK2
SCHEMBL21601467 0.84 CA12 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968233-B2 Monothiol mucolytic agents PARION SCIENCES, INC. (US) 2021-04-06 US disclosed
US-20190031679-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. 2019-01-31 US disclosed
US-20160222023-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-08-04 US disclosed
WO-2016123335-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-08-04 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 (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-10968233-B2 Monothiol mucolytic agents MUC1, HRH2, MAN2A1 CA12 513/4885CA1 1466/4885CA2 2413/4885
US-20190031679-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS MUC1, MAN2A1, HRH2 CA12 588/4885CA1 1786/4885CA2 2639/4885
US-20160222023-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS MUC1, MAN2A1, HRH2 CA12 588/4885CA1 1786/4885CA2 2639/4885

“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.