SCHEMBL4598355

SCHEMBL4598355

Nc1ccc(-n2nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3n2)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SENP2 Q9HC62 3/20 0.35
SENP3 Q9H4L4 2/20 0.35
SENP1 Q9P0U3 2/20 0.35
SUMO2 P61956 2/20 0.35
SUMO1 P63165 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
TTR P02766 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NSD2 O96028 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 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
SCHEMBL8757604 0.91 CYP2C9 (0.34) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL11913141 0.88 NPC1 (0.38) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL11374899 0.84 MAPT (0.40) ALDH1A1CYP2C9HSD17B10MEN1NPC1
SCHEMBL19085485 0.84 SENP3 (0.36) SENP2SENP3SENP1SUMO2SUMO1
SCHEMBL1485973 0.82 CASP6 (0.44) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL12157599 0.81 ALOX5 (0.34) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL14411295 0.79 SENP3 (0.35) SENP2SENP3SENP1SUMO2SUMO1
SCHEMBL11913042 0.78 SENP2 (0.40) ALDH1A1CYP2C9CYP2C19HSD17B10SENP2
SCHEMBL11913051 0.78 CASP6 (0.41) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL11195145 0.76 KDM4E (0.42) CASP6ALDH1A1HSD17B10SENP2SENP3

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 6 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
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
EP-1877495-A2 REACTIVE AZO DYES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2008-01-16 EP 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
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 CASP6 2194/4885ALDH1A1 284/4885CYP2C9 13/4885

“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.