SCHEMBL5878064

SCHEMBL5878064

Cc1ccc(S(=O)(=O)n2nc(NC3CCC3)c3c2CC(c2ccccc2)(c2ccncn2)C=C3)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
CCR6 P51684 1/20 0.32
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL5876624 0.97 CCR6 (0.33) CCR6NR1H2NR1H3
SCHEMBL5877305 0.94 CCR6 (0.35) CCR6
SCHEMBL5878049 0.91 SMN1; SMN2 (0.34) USP2MAPK1CCR6NOD2NOD1
SCHEMBL5876674 0.90 USP2 (0.35) USP2MAPK1CCR6NOD2NOD1
SCHEMBL5876342 0.90 CCR6 (0.35) CCR6
SCHEMBL5876198 0.90 USP2 (0.37) USP2MAPK1CCR6NOD2NOD1
SCHEMBL5876223 0.88 SMN1; SMN2 (0.33) USP2MAPK1CCR6NR1H2NR1H3
SCHEMBL5877420 0.87 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL5876220 0.87 NR1H2 (0.34) USP2MAPK1CCR6NR1H2NR1H3
SCHEMBL5877652 0.87 ACHE (0.34) USP2MAPK1CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 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 (1 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT USP2 3250/4885MAPK1 2357/4885CCR6 1780/4885

“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.