SCHEMBL12173000

SCHEMBL12173000

Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.61
▸ SUMO2 P61956 2/20 0.55
▸ SUMO1 P63165 2/20 0.55
▸ SENP7 Q9BQF6 2/20 0.55
▸ SENP2 Q9HC62 2/20 0.55
▸ APEX1 P27695 2/20 0.54
▸ CYP1A2 P05177 3/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PRMT1 Q99873 2/20 0.43
▸ SENP3 Q9H4L4 1/20 0.42
▸ SENP1 Q9P0U3 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C9 P11712 3/20 0.39
▸ DNASE1L3 Q13609 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NT5E P21589 1/20 0.38
▸ CYP2C19 P33261 2/20 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
SCHEMBL13880551 0.91 ENPP2 (0.51) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL13069596 0.87 CYP1A2 (0.51) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL14441044 0.87 SUMO2 (0.62) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384210 0.86 ENPP2 (0.51) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL14388859 0.84 CYP1A2 (0.55) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL14546770 0.83 SENP2 (0.40) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384219 0.82 ENPP2 (0.52) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL6346835 0.82 APEX1 (0.73) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL11670482 0.82 APEX1 (0.73) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL11670965 0.82 APEX1 (0.73) ENPP2SUMO2SUMO1SENP7SENP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — US disclosed
WO-2010149505-A2 CHARGED PARTICLES BASF SE (DE) 2010-12-29 — — WO disclosed
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 (2 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 3626/4885SUMO2 1017/4885SUMO1 1133/4885
US-20120229884-A1 CHARGED PARTICLES POLE3, POLD3, IPO4 ENPP2 1649/4885SUMO2 314/4885SUMO1 436/4885

“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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