SCHEMBL14030071

SCHEMBL14030071

Cc1c(N)c(NCCS(=O)(=O)CCOS(=O)(=O)O)nc(NCCOS(=O)(=O)O)c1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.40
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ SENP2 Q9HC62 5/20 0.35
▸ SUMO2 P61956 3/20 0.35
▸ SUMO1 P63165 3/20 0.35
▸ SENP7 Q9BQF6 3/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ SENP3 Q9H4L4 4/20 0.33
▸ SENP1 Q9P0U3 4/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ ATIC P31939 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ P2RY1 P47900 1/20 0.32

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
SCHEMBL14625881 0.93 ENPP2 (0.38) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029536 0.92 ENPP2 (0.39) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029362 0.90 ENPP2 (0.43) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14004293 0.89 CD40 (0.39) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029537 0.88 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029539 0.88 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14004572 0.88 CD40 (0.40) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14625588 0.87 ENPP2 (0.38) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14029568 0.85 ENPP2 (0.43) ENPP2CD40CD40LGPHLPP2SENP2
SCHEMBL14004257 0.83 CD40 (0.37) ENPP2CD40CD40LGPHLPP2RPS6KA3

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 ENPP2 3154/4885CD40 4109/4885CD40LG 3566/4885

“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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