SCHEMBL12342103

SCHEMBL12342103

CCc1cc(-c2nocc2-c2ccc(N=O)cc2)cc(CC)c1CC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
HSP90AA1 P07900 1/20 0.33
PTPN1 P18031 3/20 0.31
PTPRC P08575 1/20 0.30
PTPRF P10586 1/20 0.30
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30
CDC25C P30307 1/20 0.30
PPP1CC P36873 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
SCHEMBL1168115 0.84 PTGS2 (0.41) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1168997 0.83 MAPK14 (0.54) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1168674 0.83 PTPN1 (0.46) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1168077 0.82 MAPK11 (0.52) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1167886 0.82 PTGS2 (0.39) PTGS2MAPK13MAPK12MAPK11MAPK14
Dimethylamine SCHEMBL1167887 0.80 PTGS2 (0.49) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1167805 0.80 KMT2A (0.41) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL12342089 0.78 PAX8 (0.41) PTGS2
SCHEMBL1168166 0.78 PTGS2 (0.41) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1168381 0.78 PTGS2 (0.41) PTGS2MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-8269017-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2012-09-18 US disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 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 (2 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-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885MAPK13 769/4885MAPK12 1264/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885MAPK13 769/4885MAPK12 1264/4885

“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.