SCHEMBL10012970

SCHEMBL10012970

CC(OC(N)=O)OS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
HSP90AA1 P07900 1/20 0.44
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
CA12 O43570 7/20 0.44
CA9 Q16790 7/20 0.44
CA14 Q9ULX7 6/20 0.44
CA7 P43166 4/20 0.44
CA3 P07451 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA13 Q8N1Q1 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL370179 0.82 POLB (0.49) ALDH1A1MAPTF2PRSS1PRSS2
SCHEMBL370180 0.82 POLB (0.49) ALDH1A1MAPTF2PRSS1PRSS2
SCHEMBL10867412 0.81 MMP9 (0.50) ALDH1A1HSP90AA1CA1CA2CA12
SCHEMBL4371962 0.81 MMP9 (0.50) ALDH1A1HSP90AA1CA1CA2CA12
SCHEMBL19469361 0.80 CA2 (0.52) ALDH1A1MAPTF2PRSS1PRSS2
SCHEMBL28614173 0.80 MMP2 (0.53) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL28614175 0.80 MMP2 (0.53) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL11853542 0.78 CA1 (0.55) ALDH1A1MAPTF2PRSS1PRSS2
SCHEMBL2672403 0.78 CA2 (0.50) ALDH1A1MAPTF2PRSS1PRSS2
SCHEMBL15631944 0.75 POLB (0.51) ALDH1A1F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296681-B2 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-9096515-B2 Methods of using cycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20140066500-A1 CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
US-8604244-B2 Compositions, synthesis, and methods of using cycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives REVIVA PHARMACEUTICALS, INC. (US) 2012-07-05 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-20140066500-A1 CYCLOALKYLMETHYLAMINES PNMT, TPH1, TPH2 ALDH1A1 407/4885MAPT 2626/4885F2 2375/4885
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives TPH1, TPH2, PNMT ALDH1A1 610/4885MAPT 2692/4885F2 1827/4885
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, TPH1, TPH2 ALDH1A1 463/4885MAPT 3229/4885F2 2032/4885

“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.