SCHEMBL13892267

SCHEMBL13892267

C=CS(=O)(=O)c1cc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4cc(S(=O)(=O)C=C)c(S(=O)(=O)O)cc4S(=O)(=O)O)c(O)c3c2N)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.51
▸ PRMT1 Q99873 1/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP2C9 P11712 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ DNASE1L3 Q13609 1/20 0.41
▸ PHLPP2 Q6ZVD8 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ APP P05067 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 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
SCHEMBL10394584 0.84 CYP1A2 (0.54) ENPP2PRMT1CYP1A2MEN1KMT2A
SCHEMBL10393844 0.84 CYP1A2 (0.54) ENPP2PRMT1CYP1A2MEN1KMT2A
SCHEMBL13892266 0.82 ENPP2 (0.45) ENPP2PRMT1CYP1A2MEN1KMT2A
SCHEMBL13881012 0.82 ENPP2 (0.39) ENPP2PRMT1CYP1A2MEN1KMT2A
SCHEMBL14271175 0.82 ENPP2 (0.46) ENPP2PRMT1CYP1A2MEN1KMT2A
SCHEMBL13892226 0.81 ENPP2 (0.46) ENPP2CYP1A2MEN1KMT2AHTT
SCHEMBL14495437 0.81 ENPP2 (0.46) ENPP2PRMT1CYP1A2MEN1KMT2A
SCHEMBL15671910 0.81 ENPP2 (0.54) ENPP2PRMT1CYP1A2MEN1KMT2A
SCHEMBL15671895 0.81 THRB (0.55) ENPP2PRMT1CYP1A2MEN1KMT2A
SCHEMBL9011686 0.79 ENPP2 (0.52) ENPP2PRMT1CYP1A2MEN1KMT2A

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 2 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
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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