SCHEMBL13880973

SCHEMBL13880973

O=C(Nc1cc(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3ccc(CCCOSOOO)cc3S(=O)(=O)O)c(O)c12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.46
▸ APEX1 P27695 1/20 0.42
▸ FUT8 Q9BYC5 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ PRMT1 Q99873 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ ING2 Q9H160 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
SCHEMBL13880976 0.91 ENPP2 (0.35) ENPP2FUT8CYP1A2CYP2C9MAPK1
SCHEMBL14489027 0.85 ENPP2 (0.55) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL10331479 0.84 ENPP2 (0.51) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL14075513 0.84 ENPP2 (0.46) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL14269271 0.81 ENPP2 (0.52) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL13599520 0.81 ENPP2 (0.45) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL13839142 0.80 ENPP2 (0.60) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL13880754 0.78 ENPP2 (0.37) ENPP2CYP1A2PRMT1MEN1KMT2A
SCHEMBL13880978 0.77 ENPP2 (0.36) ENPP2APEX1FUT8CYP1A2CYP2C9
SCHEMBL13940764 0.77 APEX1 (0.49) ENPP2APEX1FUT8CYP1A2CYP2C9

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 3626/4885APEX1 556/4885FUT8 2015/4885

“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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