SCHEMBL15928851

SCHEMBL15928851

CC(C)(C)Oc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA4 P22748 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ CA7 P43166 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ PPARD Q03181 2/20 0.36
▸ ACACB O00763 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ PTPRZ1 P23471 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
SCHEMBL17369724 0.81 MAOB (0.39) MAOBIDO1PPARGPPARA
SCHEMBL15929169 0.79 MAPT (0.47) CA12CA1CA2CA9CA4
SCHEMBL13525148 0.76 CA12 (0.42) CA12CA1CA2CA9CA4
SCHEMBL23091915 0.76 IDO1 (0.66) CA12CA1CA2CA9MAOB
SCHEMBL5148856 0.76 AGXT (0.48) CA12CA1CA2CA9CA4
SCHEMBL16599337 0.75 MAPT (0.47) CA12CA1CA2CA9CA4
SCHEMBL13525150 0.74 CA12 (0.56) CA12CA1CA2CA9CA4
SCHEMBL4128246 0.74 CA2 (0.50) CA12CA1CA2CA9CA4
SCHEMBL2733042 0.74 HSD17B10 (0.52) CA1CA2CA9GAA
SCHEMBL13303727 0.74 PPARG (0.39) IDO1PPARGPPARAPPARDACACB

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-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 — — US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 — — US disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 — — US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 — — US disclosed
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors CYPRUS UNIVERSITY OF TECHNOLOGY (CY) 2017-06-22 — — US disclosed
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-12-31 — — US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 — — 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 (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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 CA12 3042/4885CA1 1550/4885CA2 1378/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 CA12 2261/4885CA1 2153/4885CA2 1842/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 CA12 2261/4885CA1 2153/4885CA2 1842/4885
US-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 CA12 2075/4885CA1 2474/4885CA2 749/4885
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF PTGES, PTGES3, PTGS1 CA12 2075/4885CA1 2474/4885CA2 749/4885
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors NOS2, NOS1, HSF1 CA12 3603/4885CA1 1819/4885CA2 1087/4885

“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.

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