SCHEMBL4010907

SCHEMBL4010907

O=S(=O)(Oc1cccc(F)c1)n1nc(-c2ccccc2)c2c[c]ccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.37
TP53 P04637 1/20 0.32
PTGER1 P34995 3/20 0.32
RORC P51449 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL4009646 0.84 PTGS2 (0.34) PTGS2KDM4EALDH1A1MAPTHPGD
SCHEMBL4013337 0.84 PTGS2 (0.30) PTGS2KDM4EALDH1A1MAPTHPGD
SCHEMBL4010013 0.84 PTGS2 (0.30) PTGS2KDM4EALDH1A1MAPTHPGD
SCHEMBL4013460 0.84 PTGS2 (0.34) PTGS2KDM4EALDH1A1MAPTHPGD
SCHEMBL4006455 0.83 HTT (0.38) PTGS2RORCKDM4EALDH1A1MAPT
SCHEMBL4011512 0.82 SLC22A12 (0.33)
SCHEMBL4013447 0.76 PTGS2 (0.33) PTGS2RORC
SCHEMBL4004291 0.75 KDM4E (0.33) RORCKDM4EALDH1A1MAPTHPGD
SCHEMBL695845 0.69 L3MBTL1 (0.38) PTGS2PTGER1KDM4EALDH1A1MAPT
SCHEMBL4008319 0.65 PTGS2 (0.32) PTGS2

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 1766/4885TP53 234/4885PTGER1 2512/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 PTGS2 1706/4885TP53 294/4885PTGER1 2504/4885

“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.