SCHEMBL14004209

SCHEMBL14004209

CC(=O)Nc1cc(N)ccc1/N=N/c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.60
▸ AMY1A P0DUB6 2/20 0.49
▸ RPS6KA3 P51812 1/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA3 P07451 1/20 0.47
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PHLPP2 Q6ZVD8 4/20 0.44
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CASP6 P55212 1/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL9762407 0.87 SENP2 (0.54) ENPP2AMY1ACA2CA3NPC1
SCHEMBL9507783 0.87 SENP2 (0.54) ENPP2AMY1ACA2CA3NPC1
SCHEMBL11750629 0.84 ENPP2 (0.52) ENPP2AMY1ACA2CA3NPC1
SCHEMBL11417961 0.83 MAPT (0.48) ENPP2AMY1ACA2PTGS1PTGS2
SCHEMBL11417957 0.83 MAPT (0.48) ENPP2AMY1ACA2PTGS1PTGS2
SCHEMBL3823840 0.83 CASP6 (0.55) ENPP2AMY1ACA2CA3PHLPP2
SCHEMBL8780009 0.83 ENPP2 (0.51) ENPP2CA2CA3CASP6ALDH1A1
SCHEMBL5840703 0.82 ENPP2 (0.51) ENPP2RPS6KA3PTGS1PTGS2MAPT
SCHEMBL5840682 0.82 ENPP2 (0.51) ENPP2RPS6KA3PTGS1PTGS2MAPT
SCHEMBL5840691 0.82 ENPP2 (0.51) ENPP2RPS6KA3PTGS1PTGS2MAPT

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 3 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
WO-2007006594-A2 REACTIVE AZO DYES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-01-18 — — WO 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 3154/4885AMY1A 1448/4885RPS6KA3 3035/4885

“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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