SCHEMBL13880970

SCHEMBL13880970

O=S(=O)(O)c1cc(O)c2c(O)c(/N=N/c3ccc(S(=O)(=O)CCOSOOO)cc3S(=O)(=O)O)c(SOOO)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ ENPP2 Q13822 4/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ P2RX5 Q93086 2/20 0.36
▸ P2RX4 Q99571 2/20 0.36
▸ P2RX2 Q9UBL9 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL14582580 0.85 PRMT1 (0.35) PRMT1CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13880769 0.85 THRB (0.43) PRMT1CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13881010 0.84 THRB (0.44) PRMT1CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13880823 0.83 THRB (0.43) PRMT1CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12053435 0.83 THRB (0.51) PRMT1CYP1A2ENPP2MEN1KMT2A
SCHEMBL12053382 0.82 CYP1A2 (0.49) PRMT1CYP1A2MAPK1CYP2C9ENPP2
SCHEMBL14582550 0.80 APEX1 (0.39) CYP1A2CYP2C9ENPP2CYP2C19THRB
SCHEMBL12053096 0.79 P2RX5 (0.36) CYP1A2ENPP2MEN1KMT2AP2RX5
SCHEMBL13880762 0.79 THRB (0.42) CYP1A2ENPP2MEN1KMT2AHTT
SCHEMBL13340655 0.79 SENP2 (0.36) ENPP2MEN1KMT2AP2RX5P2RX4

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 PRMT1 1728/4885CYP1A2 4054/4885MAPK1 3564/4885

“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.

Send feedback