SCHEMBL4934322

SCHEMBL4934322

O=[N+]([O-])C1C=CC(O)C=C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSR P00390 4/20 0.35
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL3679428 0.85
SCHEMBL4352672 0.67
SCHEMBL22265048 0.63
SCHEMBL16178868 0.59
Hydrogen Peroxide SCHEMBL28709584 0.55 MEN1 (0.60) CA5ACA5B
Nitric Acid SCHEMBL11611232 0.55 CA5A (0.89) CA5ACA5B
Nitric Acid SCHEMBL11606188 0.55 CA5A (0.89) CA5ACA5B
Nitric Acid SCHEMBL29375086 0.55
Hydrogen Peroxide SCHEMBL28268204 0.55 MEN1 (0.60) CA5ACA5B
Nitric Acid SCHEMBL338008 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080281094-A1 Regioselective Functionalisation and Protection of Spirolactams LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US disclosed
US-7297788-B2 Regioselective hydroxylation, functionalisation and protection of spirolactams LABORATORIOS DEL DR. ESTEVE. S.A. (ES) 2007-11-20 US disclosed
CN-1976899-A Regioselective functionalization and protection of spirolactams ESTEVE LABOR DR (ES) 2007-06-06 CN disclosed
EP-1747197-A1 REGIOSELECTIVE FUNCTIONALISATION AND PROTECTION OF SPIROLACTAMS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP disclosed
US-20060148778-A1 Ultraviolet radiation absorbers; such as 1 azaspiro(3,5)nona-5,8-dione derivative substituted in first position with oxy, thio or carbonyl group LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 US disclosed
EP-1676836-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams II LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 EP disclosed
US-20050261492-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2005-11-24 US disclosed
EP-1598336-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-23 EP disclosed
WO-2005108357-A1 REGIOSELECTIVE FUNCTIONALISATION AND PROTECTION OF SPIROLACTAMS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-17 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-20080281094-A1 Regioselective Functionalisation and Protection of Spirolactams PAICS, CTSL, GNE GSR 4292/4885CA5A 2407/4885CA5B 2952/4885
US-20050261492-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams POR, CYP51A1, CYP17A1 GSR 3152/4885CA5A 1522/4885CA5B 2259/4885
US-20060148778-A1 Ultraviolet radiation absorbers; such as 1 azaspiro(3,5)nona-5,8-dione derivative substituted in first position with oxy, thio or carbonyl group UNG, OXER1, OGFOD1 GSR 4253/4885CA5A 484/4885CA5B 757/4885

“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.