SCHEMBL1460587

SCHEMBL1460587

CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(OCc4ccccc4)c(F)c3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.47
▸ FABP4 P15090 1/20 0.46
▸ AURKA O14965 8/20 0.43
▸ AURKB Q96GD4 6/20 0.43
▸ TTK P33981 3/20 0.43
▸ NTRK1 P04629 4/20 0.43
▸ SGK1 O00141 2/20 0.41
▸ MAPK1 P28482 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
SCHEMBL1460568 0.88 TTK (0.52) ITKAURKAAURKBTTKNTRK1
SCHEMBL1461735 0.85 TTK (0.56) ITKAURKAAURKBTTK
SCHEMBL1461780 0.85 ITK (0.55) ITKAURKAAURKBTTKNTRK1
SCHEMBL1461126 0.83 ITK (0.51) ITKAURKAAURKBTTKNTRK1
SCHEMBL1461858 0.83 ITK (0.55) ITKAURKAAURKBTTKNTRK1
SCHEMBL1460633 0.81 ITK (0.55) ITKAURKAAURKBTTKNTRK1
SCHEMBL1460639 0.81 BRD4 (0.50) ITKAURKAAURKBTTKNTRK1
SCHEMBL1460573 0.81 ITK (0.54) ITKAURKAAURKBNTRK1SGK1
SCHEMBL1460842 0.81 MAPK1 (0.52) ITKAURKAAURKBTTKNTRK1
SCHEMBL1460552 0.80 MAPK1 (0.54) ITKAURKAAURKBTTKNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4643910-B2 — — 2011-03-02 — — JP claimed
JP-2005533004-A — — 2005-11-04 — — JP claimed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US claimed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP claimed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US claimed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — WO claimed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
CN-100369899-C Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2008-02-20 — — CN disclosed
CN-1642922-A Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2005-07-20 — — CN disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 — — US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 222/4885FABP4 4799/4885AURKA 17/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 266/4885FABP4 4770/4885AURKA 65/4885

“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.

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