SCHEMBL13880754

SCHEMBL13880754

C/N=N/c1c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3ccc(CCCOSOOO)cc3S(=O)(=O)O)c(O)c2c1N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.37
▸ THRB P10828 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ PRMT1 Q99873 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
SCHEMBL13880843 0.97 ENPP2 (0.37) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13880769 0.88 THRB (0.43) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13880823 0.85 THRB (0.43) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13880786 0.83 — —
SCHEMBL13880896 0.83 MEN1 (0.35) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13324294 0.82 ENPP2 (0.39) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13870631 0.81 THRB (0.50) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13880976 0.81 ENPP2 (0.35) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL13239097 0.80 ENPP2 (0.47) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13880947 0.80 THRB (0.53) ENPP2THRBMEN1HTTKMT2A

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 3626/4885THRB 3581/4885MEN1 4346/4885

“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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