SCHEMBL13880703

SCHEMBL13880703

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(S(=O)(=O)CCOS(=O)(=O)O)ccc3O)c(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.48
▸ ENPP2 Q13822 4/20 0.46
▸ CA2 P00918 1/20 0.45
▸ CA3 P07451 1/20 0.45
▸ FUT8 Q9BYC5 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DNASE1L3 Q13609 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GRK2 P25098 1/20 0.39
▸ PLEC Q15149 1/20 0.39
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.38

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
SCHEMBL4991205 0.93 PRMT1 (0.48) PRMT1ENPP2CA2CA3FUT8
SCHEMBL4991193 0.93 PRMT1 (0.48) PRMT1ENPP2CA2CA3FUT8
SCHEMBL13880604 0.93 CA2 (0.49) PRMT1ENPP2CA2CA3FUT8
SCHEMBL29959416 0.89 PRMT1 (0.61) PRMT1ENPP2CA2CA3FUT8
SCHEMBL13880701 0.88 PRMT1 (0.46) PRMT1ENPP2CA2CA3FUT8
SCHEMBL13880599 0.86 ENPP2 (0.46) PRMT1ENPP2CA2CA3FUT8
SCHEMBL13880575 0.86 ENPP2 (0.47) PRMT1ENPP2CA2CA3FUT8
SCHEMBL29383259 0.85 THRB (0.57) PRMT1ENPP2CA2CA3FUT8
SCHEMBL13892241 0.85 ENPP2 (0.46) PRMT1ENPP2CA2CA3FUT8
SCHEMBL14493254 0.85 MEN1 (0.57) PRMT1ENPP2FUT8CYP1A2CYP2C9

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 PRMT1 1728/4885ENPP2 3626/4885CA2 2620/4885

“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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