SCHEMBL13880599

SCHEMBL13880599

COc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(NC(C)=O)c3c2O)c(O)cc1S(=O)(=O)CCOS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.46
▸ PRMT1 Q99873 3/20 0.44
▸ CYP1A2 P05177 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DNASE1L3 Q13609 1/20 0.40
▸ FUT8 Q9BYC5 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ THRB P10828 1/20 0.36
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ PRMT3 O60678 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34

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
SCHEMBL13880701 0.91 PRMT1 (0.46) ENPP2PRMT1CYP1A2CA2CA3
SCHEMBL13880658 0.88 ENPP2 (0.47) ENPP2PRMT1CYP1A2CA2CA3
SCHEMBL13880652 0.88 ENPP2 (0.47) ENPP2PRMT1CYP1A2CA2CA3
SCHEMBL13880703 0.86 PRMT1 (0.48) ENPP2PRMT1CYP1A2CA2CA3
SCHEMBL4991205 0.86 PRMT1 (0.48) ENPP2PRMT1CYP1A2CA2CA3
SCHEMBL4991193 0.86 PRMT1 (0.48) ENPP2PRMT1CYP1A2CA2CA3
SCHEMBL13880575 0.84 ENPP2 (0.47) ENPP2PRMT1CYP1A2CA2CA3
SCHEMBL13880653 0.81 ENPP2 (0.56) ENPP2PRMT1CA2CA3HTT
SCHEMBL13880604 0.81 CA2 (0.49) ENPP2PRMT1CYP1A2CA2CA3
SCHEMBL14440807 0.80 ENPP2 (0.58) ENPP2PRMT1CYP1A2CA2CA3

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 ENPP2 3626/4885PRMT1 1728/4885CYP1A2 4054/4885

“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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