SCHEMBL13881012

SCHEMBL13881012

C=CS(=O)(=O)c1cc(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N=Nc4cc(S(=O)(=O)C=C)c(S(=O)(=O)O)cc4SOOO)c(N)c3c2O)c(S(=O)(=O)O)cc1SOOO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.39
▸ CYP1A2 P05177 2/20 0.35
▸ PRMT1 Q99873 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ PHLPP2 Q6ZVD8 2/20 0.32
▸ PTPN11 Q06124 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ DNASE1L3 Q13609 1/20 0.31

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
SCHEMBL13892267 0.82 ENPP2 (0.51) ENPP2CYP1A2PRMT1MEN1HTT
SCHEMBL14193698 0.81 ENPP2 (0.42) ENPP2CYP1A2PRMT1MEN1HTT
SCHEMBL13880801 0.79 ENPP2 (0.36) ENPP2CYP1A2PRMT1MEN1HTT
SCHEMBL13880800 0.79 ENPP2 (0.38) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL13324294 0.78 ENPP2 (0.39) ENPP2CYP1A2PRMT1MEN1HTT
SCHEMBL13880994 0.78 PRMT1 (0.36) ENPP2CYP1A2PRMT1MEN1HTT
SCHEMBL13287309 0.77 ENPP2 (0.55) ENPP2CYP1A2PRMT1THRBPHLPP2
SCHEMBL13651144 0.76 ENPP2 (0.36) ENPP2CYP1A2PRMT1MEN1HTT
SCHEMBL14159451 0.76 ENPP2 (0.41) ENPP2CYP1A2PRMT1MEN1HTT
SCHEMBL14193701 0.75 PRMT3 (0.40) ENPP2CYP1A2PRMT1MEN1HTT

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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 ENPP2 3626/4885CYP1A2 4054/4885PRMT1 1728/4885

“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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