SCHEMBL15065879

SCHEMBL15065879

CCOC(CC)COS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 3/20 0.40
HSP90AA1 P07900 1/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 3/20 0.40
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL15065995 0.87 CYP19A1 (0.45) CYP19A1ALDH1A1HSP90AA1CA1CA2
SCHEMBL782596 0.82 CA2 (0.44) CYP19A1ALDH1A1HSP90AA1CA1CA2
SCHEMBL4456811 0.80 CA1 (0.50) ALDH1A1HSP90AA1CA1CA2CA9
SCHEMBL19201046 0.79 CYP19A1 (0.50) CYP19A1ALDH1A1HSP90AA1CA1CA2
SCHEMBL21618245 0.76 VDR (0.41) ALDH1A1CA1CA2CA9CA12
SCHEMBL20257485 0.75 CA1 (0.45) ALDH1A1HSP90AA1CA1CA2CA9
SCHEMBL27935675 0.74 CA1 (0.47) CYP19A1ALDH1A1HSP90AA1CA1CA2
SCHEMBL15066367 0.74 CA1 (0.44) ALDH1A1HSP90AA1CA1CA2CA9
SCHEMBL30865768 0.73 CA1 (0.53) ALDH1A1HSP90AA1CA1CA2CA9
SCHEMBL10615560 0.72 CA1 (0.42) ALDH1A1HSP90AA1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797870-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING 1-[1-PHENYL-CYCLOBUTYL]ISOBUTYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives Revivia Pharmaceuticals, Inc. (US) 2018-07-31 US disclosed
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2018-05-10 US disclosed
US-9695116-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
CN-104039753-B The compositions of phenylcycloalkyl methylamine derivative, synthesis and using method 雷维瓦药品公司 2016-09-14 CN disclosed
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-04-28 US disclosed
US-9238625-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2016-01-19 US disclosed
EP-2797870-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES Reviva Pharmaceuticals, Inc. (US) 2014-11-05 EP disclosed
US-20140024679-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
WO-2013102195-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2013-07-04 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 (4 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-20140024679-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CYP19A1 85/4885ALDH1A1 826/4885HSP90AA1 3495/4885
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives PNMT, HTR6, COMT CYP19A1 85/4885ALDH1A1 826/4885HSP90AA1 3495/4885
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CYP19A1 85/4885ALDH1A1 826/4885HSP90AA1 3495/4885
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CYP19A1 85/4885ALDH1A1 826/4885HSP90AA1 3495/4885

“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.