SCHEMBL4013447

SCHEMBL4013447

CS(=O)(=O)c1ccccc1OS(=O)(=O)n1nc(-c2ccccc2)c2c[c]ccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
RORC P51449 2/20 0.33
TYRO3 Q06418 2/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL4008965 0.86 PTGS2 (0.33) PTGS2
SCHEMBL4010500 0.85 PTGS2 (0.34) PTGS2
SCHEMBL4013515 0.85 PTGS2 (0.30) PTGS2
SCHEMBL4010526 0.85 PTGS2 (0.34) PTGS2
SCHEMBL4010195 0.83 BCAT1 (0.30)
SCHEMBL4006455 0.76 HTT (0.38) PTGS2RORC
SCHEMBL4010907 0.76 PTGS2 (0.37) PTGS2RORC
SCHEMBL4010499 0.76 ADRA2A (0.31)
SCHEMBL694855 0.68 L3MBTL1 (0.49)
SCHEMBL7148004 0.66 RORC (0.43) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US 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 PTGS2 1766/4885RORC 895/4885TYRO3 389/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 PTGS2 1706/4885RORC 943/4885TYRO3 445/4885

“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.