SCHEMBL875775

SCHEMBL875775

NC(=O)OCCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 6/20 0.45
CA12 O43570 5/20 0.45
CA14 Q9ULX7 4/20 0.45
CA7 P43166 3/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL30865768 0.86 CA1 (0.53) F2PRSS1PRSS2PRSS3CA1
SCHEMBL15444607 0.85 ALDH1A1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL368914 0.83 F2 (0.49) F2PRSS1PRSS2PRSS3CA1
SCHEMBL872476 0.83 BCL9 (0.43) CA1CA2CA9CA12CA14
SCHEMBL10615554 0.81 CA1 (0.48) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10615596 0.81 CA1 (0.48) F2PRSS1PRSS2PRSS3CA1
SCHEMBL27001719 0.81 ALOX5 (0.54) ALDH1A1MAPTPOLBLMNAHSD11B1
SCHEMBL1283002 0.81 F2 (0.48) F2PRSS1PRSS2PRSS3CA1
SCHEMBL29223708 0.80 ALDH1A1 (0.51) F2PRSS1PRSS2PRSS3CA1
SCHEMBL15499903 0.80 MAPT (0.42) CA1CA2CA9CA12CA14

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-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
WO-2012003501-A2 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2012-01-05 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-20140066500-A1 CYCLOALKYLMETHYLAMINES PNMT, TPH1, TPH2 F2 2375/4885PRSS1 3457/4885PRSS2 3980/4885
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives TPH1, TPH2, PNMT F2 1827/4885PRSS1 3374/4885PRSS2 3839/4885
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, TPH1, TPH2 F2 2032/4885PRSS1 3506/4885PRSS2 3797/4885

“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.