SCHEMBL13880657

SCHEMBL13880657

COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.55
▸ PRMT1 Q99873 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ PHLPP2 Q6ZVD8 1/20 0.46
▸ CD40 P25942 1/20 0.45
▸ CD40LG P29965 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL14388826 0.90 ENPP2 (0.53) ENPP2PRMT1ALDH1A1HIF1APHLPP2
SCHEMBL11671747 0.90 THRB (0.50) ENPP2PRMT1ALDH1A1HIF1ACD40
SCHEMBL11671754 0.90 THRB (0.50) ENPP2PRMT1ALDH1A1HIF1ACD40
SCHEMBL14388936 0.87 PRMT1 (0.56) ENPP2PRMT1ALDH1A1HIF1APHLPP2
SCHEMBL13880680 0.85 CD40 (0.49) ENPP2PRMT1ALDH1A1HIF1ACD40
SCHEMBL18684967 0.85 ENPP2 (0.42) ENPP2PRMT1ALDH1A1PHLPP2CD40
SCHEMBL16551932 0.85 THRB (0.56) ENPP2PRMT1ALDH1A1PHLPP2MEN1
SCHEMBL13880629 0.85 ENPP2 (0.55) ENPP2PRMT1ALDH1A1HIF1ACD40
SCHEMBL16838453 0.84 ENPP2 (0.44) ENPP2PRMT1ALDH1A1HIF1APHLPP2
SCHEMBL11671910 0.84 CD40 (0.47) ENPP2PRMT1ALDH1A1HIF1ACD40

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-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
WO-2007063024-A2 KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES BASF SE (DE) 2007-06-07 — — 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 ENPP2 3626/4885PRMT1 1728/4885ALDH1A1 2661/4885

“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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