SCHEMBL13880684

SCHEMBL13880684

O=S(=O)(O)OCCS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)ccc(Nc4nc(Cl)nc(Cl)n4)c3c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ FUT8 Q9BYC5 1/20 0.44
▸ PRMT1 Q99873 4/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ ENPP2 Q13822 4/20 0.35
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ PRMT3 O60678 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ SUMO2 P61956 1/20 0.32
▸ SUMO1 P63165 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP2 Q9HC62 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL9454016 0.91 FUT8 (0.48) THRBFUT8PRMT1CARM1CA2
SCHEMBL14388947 0.84 PRMT1 (0.53) THRBFUT8PRMT1CARM1CA2
SCHEMBL13880659 0.84 CA2 (0.52) THRBPRMT1CA2CA3ENPP2
SCHEMBL4166243 0.83 PRMT1 (0.61) THRBFUT8PRMT1CARM1CA2
SCHEMBL3698096 0.83 PRMT1 (0.61) THRBFUT8PRMT1CARM1CA2
SCHEMBL13880704 0.83 FUT8 (0.49) THRBFUT8PRMT1CARM1CA2
SCHEMBL16624644 0.83 FUT8 (0.58) THRBFUT8PRMT1CARM1CA2
SCHEMBL13880699 0.81 FUT8 (0.68) THRBFUT8PRMT1CARM1CA2
SCHEMBL18135177 0.81 FUT8 (0.68) THRBFUT8PRMT1CARM1CA2
SCHEMBL29886741 0.81 FUT8 (0.68) THRBFUT8PRMT1CARM1CA2

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 THRB 3581/4885FUT8 2015/4885PRMT1 1728/4885

“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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