SCHEMBL2436618

SCHEMBL2436618

Cc1cc(Br)cc(S(=O)(=O)C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.33
EPAS1 Q99814 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.31
NPC1 O15118 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
SCHEMBL24590348 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1EPAS1KDM4ENPC1
SCHEMBL12325557 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL30253215 0.77 PTGS2 (0.35) ALDH1A1KDM4EMAPK1
SCHEMBL2465936 0.77 PTGS2 (0.35) ALDH1A1KDM4EMAPK1
SCHEMBL10258967 0.76 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4E
SCHEMBL12325563 0.76 NOTUM (0.46) ALDH1A1
SCHEMBL16142852 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EMAPK1NPC1
SCHEMBL2055457 0.75 ALDH1A1 (0.34) ALDH1A1KDM4EMAPK1
SCHEMBL4807069 0.75 CA2 (0.50) ALDH1A1KDM4E
SCHEMBL12642786 0.72 GAA (0.41) EPAS1NPC1

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-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 ALDH1A1 1337/4885L3MBTL1 2101/4885EPAS1 2851/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 ALDH1A1 2301/4885L3MBTL1 1482/4885EPAS1 2647/4885

“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.