SCHEMBL13880976

SCHEMBL13880976

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.35
▸ FUT8 Q9BYC5 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DNASE1L3 Q13609 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ P2RY1 P47900 1/20 0.31

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
SCHEMBL13880973 0.91 ENPP2 (0.46) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL13880978 0.86 ENPP2 (0.36) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL14488860 0.83 ENPP2 (0.41) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL13599523 0.81 PRMT1 (0.37) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL13880754 0.81 ENPP2 (0.37) ENPP2MEN1HTTKMT2APRMT1
SCHEMBL14372037 0.80 ENPP2 (0.40) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL13880843 0.80 ENPP2 (0.37) ENPP2MEN1HTTKMT2APRMT1
SCHEMBL13880994 0.78 PRMT1 (0.36) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL13880970 0.77 PRMT1 (0.45) ENPP2MEN1HTTKMT2APRMT1
SCHEMBL13839141 0.77 ENPP2 (0.49) ENPP2FUT8MEN1HTTKMT2A

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 3626/4885FUT8 2015/4885MEN1 4346/4885

“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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