SCHEMBL14004269

SCHEMBL14004269

COCCCNc1nc(N(C)CCS(=O)(=O)CCOS(=O)(=O)O)c(C#N)c(C)c1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ ENPP2 Q13822 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
SCHEMBL14004267 0.94 CD40 (0.35) CD40CD40LGENPP2
SCHEMBL14029549 0.91 ENPP2 (0.37) CD40CD40LGENPP2
SCHEMBL14004272 0.90 CD40 (0.35) CD40CD40LGENPP2
SCHEMBL14004257 0.89 CD40 (0.37) CD40CD40LGENPP2
SCHEMBL14004577 0.88 CD40 (0.38) CD40CD40LGENPP2
SCHEMBL14004392 0.85 CD40 (0.35) CD40CD40LGENPP2
SCHEMBL14029336 0.85 ENPP2 (0.37) CD40CD40LGENPP2
SCHEMBL14004572 0.84 CD40 (0.40) CD40CD40LGENPP2
SCHEMBL14004373 0.84 CD40 (0.34) CD40CD40LG
SCHEMBL14004293 0.83 CD40 (0.39) CD40CD40LGENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080289124-A1 Reactive Azo Dyes, Methods for the Production Thereof and Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-27 — — 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-20080289124-A1 Reactive Azo Dyes, Methods for the Production Thereof and Their Use IK, CYP1A1, ALKBH1 CD40 4109/4885CD40LG 3566/4885ENPP2 3154/4885

“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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