SCHEMBL14004431

SCHEMBL14004431

C=CS(=O)(=O)CCOCCNc1nc(NCCCOC)c(C#N)c(C)c1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ ENPP1 P22413 1/20 0.32
▸ ENPP2 Q13822 3/20 0.31
▸ KDM4E B2RXH2 2/20 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

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
SCHEMBL14004424 1.00 CD40 (0.35) CD40CD40LGMAPK8MAPK9MAPK10
SCHEMBL14004355 0.95 CD40 (0.38) CD40CD40LGMAPK8MAPK9MAPK10
SCHEMBL14004349 0.95 CD40 (0.38) CD40CD40LGMAPK8MAPK9MAPK10
SCHEMBL14004433 0.94 MAPK8 (0.34) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL14004442 0.94 MAPK8 (0.34) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL14004520 0.92 MAPK8 (0.33) MAPK8MAPK9MAPK10ENPP2KDM4E
SCHEMBL14004527 0.92 MAPK8 (0.33) MAPK8MAPK9MAPK10ENPP2KDM4E
SCHEMBL14004365 0.90 CD40 (0.37) CD40CD40LGENPP1ENPP2KDM4E
SCHEMBL14004571 0.90 CD40 (0.41) CD40CD40LGENPP1ENPP2KDM4E
SCHEMBL14004298 0.88 CD40 (0.38) CD40CD40LGMAPK8MAPK9MAPK10

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 3566/4885MAPK8 3121/4885

“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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