SCHEMBL14004272

SCHEMBL14004272

C=CS(=O)(=O)CCN(C)c1nc(NCCCOC)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c(C)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ ENPP1 P22413 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ P2RX5 Q93086 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ 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
SCHEMBL14004392 0.95 CD40 (0.35) CD40CD40LGENPP1KDM4EALDH1A1
SCHEMBL14004373 0.94 CD40 (0.34) CD40CD40LGKDM4EALDH1A1MAPT
SCHEMBL14004267 0.91 CD40 (0.35) CD40CD40LGENPP1KDM4EALDH1A1
SCHEMBL14029338 0.91 ENPP2 (0.37) CD40CD40LGENPP1KDM4EALDH1A1
SCHEMBL14004269 0.90 CD40 (0.34) CD40CD40LGENPP2
SCHEMBL14004355 0.90 CD40 (0.38) CD40CD40LGENPP1KDM4EALDH1A1
SCHEMBL14004349 0.90 CD40 (0.38) CD40CD40LGENPP1KDM4EALDH1A1
SCHEMBL14004386 0.89 CD40 (0.34) CD40CD40LGKDM4EALDH1A1MAPT
SCHEMBL14004424 0.87 CD40 (0.35) CD40CD40LGENPP1KDM4EALDH1A1
SCHEMBL14004431 0.87 CD40 (0.35) CD40CD40LGENPP1KDM4EALDH1A1

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-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
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 3566/4885ENPP1 3997/4885

“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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