SCHEMBL872476

SCHEMBL872476

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL15444607 0.86 ALDH1A1 (0.48) ALDH1A1TDP1HSP90AA1MAPTKMT2A
SCHEMBL15499903 0.85 MAPT (0.42) ALDH1A1TDP1HSP90AA1MAPTKMT2A
SCHEMBL30865768 0.83 CA1 (0.53) ALDH1A1HSP90AA1LMNAPOLBSMN1; SMN2
SCHEMBL875775 0.83 F2 (0.45) ALDH1A1HSP90AA1MAPTLMNAPOLB
SCHEMBL24951911 0.82 CA12 (0.45) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL27935675 0.81 CA1 (0.47) BCL9CTNNB1ALDH1A1HSP90AA1MAPT
SCHEMBL15066367 0.80 CA1 (0.44) ALDH1A1HSP90AA1MAPTPOLBCA12
SCHEMBL27483143 0.80 TSHR (0.53) BCL9CTNNB1ALDH1A1TDP1LMNA
SCHEMBL1759251 0.79 CA1 (0.46) ALDH1A1HSP90AA1LMNAPOLBSMN1; SMN2
SCHEMBL10615596 0.79 CA1 (0.48) ALDH1A1HSP90AA1MAPTLMNAPOLB

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 12 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-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-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-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-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
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 BCL9 2508/4885CTNNB1 4312/4885ALDH1A1 407/4885
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives TPH1, TPH2, PNMT BCL9 2750/4885CTNNB1 4226/4885ALDH1A1 610/4885
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, TPH1, TPH2 BCL9 2555/4885CTNNB1 4479/4885ALDH1A1 463/4885

“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.