SCHEMBL13880628

SCHEMBL13880628

CC(=O)Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.58
EP300 Q09472 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
PRMT1 Q99873 1/20 0.58
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
ENPP2 Q13822 9/20 0.51
CD40 P25942 1/20 0.50
CD40LG P29965 1/20 0.50
THRB P10828 1/20 0.49
AMY1A P0DUB6 4/20 0.43
PHLPP2 Q6ZVD8 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL31519881 1.00 PRMT3 (0.58) PRMT3EP300PRMT6PRMT1CA2
SCHEMBL14529309 1.00 PRMT3 (0.58) PRMT3EP300PRMT6PRMT1CA2
SCHEMBL29660882 0.94 PRMT1 (0.67) PRMT3EP300PRMT6PRMT1CA2
SCHEMBL10611415 0.94 PRMT1 (0.67) PRMT3EP300PRMT6PRMT1CA2
SCHEMBL10611423 0.94 PRMT1 (0.67) PRMT3EP300PRMT6PRMT1CA2
SCHEMBL5000592 0.92 PRMT3 (0.56) PRMT3EP300PRMT6PRMT1CA2
SCHEMBL29660624 0.92 PRMT3 (0.56) PRMT3EP300PRMT6PRMT1CA2
SCHEMBL5000589 0.92 PRMT3 (0.56) PRMT3EP300PRMT6PRMT1CA2
SCHEMBL20483012 0.89 THRB (0.63) PRMT3EP300PRMT6PRMT1CA2
SCHEMBL523942 0.89 THRB (0.63) PRMT3EP300PRMT6PRMT1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 US disclosed
US-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 US disclosed
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 PRMT3 1298/4885EP300 3664/4885PRMT6 1727/4885

“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.