SCHEMBL1802510

SCHEMBL1802510

COc1cc(S(=O)(=O)O)cc2cc(N)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 3/20 0.63
▸ NSD2 O96028 1/20 0.63
▸ DUSP3 P51452 1/20 0.63
▸ PTPN5 P54829 1/20 0.63
▸ PTPN11 Q06124 1/20 0.63
▸ NT5E P21589 3/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ HTR6 P50406 1/20 0.39
▸ ENPP2 Q13822 2/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 1/20 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
SCHEMBL12386514 0.87 CASP6 (0.49) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL17904229 0.83 CYP1A2 (0.46) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL20821001 0.82 CASP6 (0.41) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL1802506 0.82 CASP6 (0.41) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9279326 0.80 CASP6 (0.53) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6078176 0.78 PRMT1 (0.66) CASP6NT5ECTDSP1ENPP2PRMT1
SCHEMBL29682799 0.78 CASP6 (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL1485804 0.78 CASP6 (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL10908620 0.78 CASP6 (0.64) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL156430 0.78 CASP6 (0.71) CASP6NSD2DUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110160399-A1 HISTONE MODIFICATION INHIBITOR SPECIFIC TO TARGET GENE NIHON UNIVERSITY (JP) 2011-06-30 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — US disclosed
US-7553359-B2 Stable liquid formulations of anionic dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2009-06-30 — — US disclosed
US-20080194815-A1 Stable Liquid Formulations of Anionic Dyes CLARIANT INTERNATIONAL LTD. (CH) 2008-08-14 — — US disclosed
US-20070083040-A1 Storagestable concentrated aqueous solutions of anionic dis-or tetrazo dyestuffs CLARIANT FINANCE (BVI) LIMITED (VG) 2007-04-12 — — 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 (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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CASP6 4737/4885NSD2 1137/4885DUSP3 4392/4885
US-20080194815-A1 Stable Liquid Formulations of Anionic Dyes ADH1A, ADH5, ADH1C CASP6 4628/4885NSD2 1911/4885DUSP3 186/4885

“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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