SCHEMBL13880604

SCHEMBL13880604

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc4c(O)c(/N=N/c5cc(S(=O)(=O)CCOS(=O)(=O)O)ccc5O)c(S(=O)(=O)O)cc4c3)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.49
▸ CA3 P07451 1/20 0.49
▸ CD40 P25942 1/20 0.48
▸ CD40LG P29965 1/20 0.48
▸ ENPP2 Q13822 10/20 0.47
▸ PRMT1 Q99873 2/20 0.45
▸ PRMT3 O60678 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ THRB P10828 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DNASE1L3 Q13609 1/20 0.40
▸ FUT8 Q9BYC5 1/20 0.40

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
SCHEMBL13880703 0.93 PRMT1 (0.48) CA2CA3CD40CD40LGENPP2
SCHEMBL4991205 0.87 PRMT1 (0.48) CA2CA3CD40CD40LGENPP2
SCHEMBL4991193 0.87 PRMT1 (0.48) CA2CA3CD40CD40LGENPP2
SCHEMBL29959416 0.83 PRMT1 (0.61) CA2CA3CD40CD40LGENPP2
SCHEMBL13880701 0.82 PRMT1 (0.46) CA2CA3ENPP2PRMT1PRMT3
SCHEMBL13892241 0.82 ENPP2 (0.46) CA2CA3CD40CD40LGENPP2
SCHEMBL13880666 0.81 ENPP2 (0.49) CA2CA3CD40CD40LGENPP2
SCHEMBL13880652 0.81 ENPP2 (0.47) CA2CA3CD40CD40LGENPP2
SCHEMBL13880599 0.81 ENPP2 (0.46) CA2CA3CD40CD40LGENPP2
SCHEMBL10611423 0.81 PRMT1 (0.67) CA2CA3CD40CD40LGENPP2

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 2 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

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 CA2 2620/4885CA3 3523/4885CD40 1850/4885

“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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