SCHEMBL670865

SCHEMBL670865

Cc1ccnc(C)c1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.40
NOS3 P29474 3/20 0.40
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
CA7 P43166 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CA4 P22748 1/20 0.34
CHRNA7 P36544 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
PDIA6 Q15084 1/20 0.33
CYP2A6 P11509 1/20 0.33
BRD4 O60885 1/20 0.33

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
Hydrochloric Acid SCHEMBL29136851 0.98 NOS2 (0.39) NOS2NOS3CA1CA2CA12
Hydrochloric Acid SCHEMBL19211716 0.98 NOS2 (0.39) NOS2NOS3CA1CA2CA12
SCHEMBL24588130 0.80 CCR1 (0.38) NOS2NOS3CCR1CCR5CCR8
SCHEMBL23833553 0.79 MAPT (0.40) NOS2NOS3CA1CA2CA12
SCHEMBL18191708 0.78 CCR1 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL16741223 0.77 NOS2 (0.48) NOS2NOS3CA1CA2CA12
SCHEMBL1954846 0.72 CA1 (0.45) CA1CA2CA12CA9CA7
Formamide SCHEMBL27677728 0.71 NOS3 (0.42) NOS2NOS3CA1CA2CA12
SCHEMBL6683391 0.71 NOS2 (0.50) NOS2NOS3CCR1CCR5CCR8
SCHEMBL2929807 0.70 CA2 (0.41) CA1CA2CA12CA9CA7

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-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 GBIOTECH S.À.R.L. (CH) 2022-09-01 US disclosed
EP-2606051-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2013-06-26 EP disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012022045-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 WO disclosed
WO-2012022265-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 WO disclosed
EP-2150255-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS Smithkline Beecham Corporation (US) 2010-02-10 EP disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 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 (1 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-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 FFAR2, FFAR1, FFAR3 NOS2 1104/4885NOS3 758/4885CA1 3793/4885

“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.