SCHEMBL6125350

SCHEMBL6125350

Cc1cc(N)c(OCCCS(=O)(=O)O)cc1N=Nc1ccc(S(=O)(=O)O)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 1/20 0.47
▸ PHLPP2 Q6ZVD8 4/20 0.38
▸ ENPP2 Q13822 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ WDR5 P61964 3/20 0.35
▸ SENP3 Q9H4L4 2/20 0.35
▸ SENP2 Q9HC62 2/20 0.35
▸ SENP1 Q9P0U3 2/20 0.35
▸ SUMO2 P61956 1/20 0.35
▸ SUMO1 P63165 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL13811608 0.97 S1PR3 (0.44) S1PR3PHLPP2ENPP2ALDH1A1KDM4E
SCHEMBL6126049 0.87 P2RX5 (0.41) S1PR3PHLPP2ENPP2ALDH1A1KDM4E
SCHEMBL18257343 0.86 P2RX5 (0.43) S1PR3PHLPP2ENPP2ALDH1A1KDM4E
SCHEMBL18257304 0.85 S1PR3 (0.44) S1PR3PHLPP2ENPP2ALDH1A1KDM4E
SCHEMBL6125338 0.85 ENPP2 (0.41) S1PR3PHLPP2ENPP2ALDH1A1KDM4E
SCHEMBL6125389 0.85 ENPP2 (0.42) PHLPP2ENPP2HSD17B10SENP3SENP2
SCHEMBL12830667 0.85 ENPP2 (0.42) PHLPP2ENPP2HSD17B10SENP3SENP2
SCHEMBL12215460 0.84 P2RX5 (0.42) S1PR3PHLPP2ENPP2ALDH1A1KDM4E
SCHEMBL6123856 0.83 PTPN11 (0.33) S1PR3WDR5PTPN11
SCHEMBL18257396 0.83 S1PR3 (0.42) S1PR3PHLPP2ENPP2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8167991-B2 Trisazo compound, ink composition, recording method, and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-01 — — US disclosed
EP-1810999-B1 AZO COMPOUND, INK COMPOSITION AND COLORING MATERIAL NIPPON KAYAKU KK (JP) 2010-08-11 — — EP disclosed
US-7550037-B2 Ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-06-23 — — US disclosed
US-7503967-B2 Azo compound, ink composition and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-17 — — US disclosed
US-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-05 — — US disclosed
US-20090011130-A1 INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-01-08 — — US disclosed
EP-1975205-A1 TRISAZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED MATTER Nipponkayaku Kabushikikaisha (JP) 2008-10-01 — — EP disclosed
US-20080193660-A1 Azo Compound, Ink Composition and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-08-14 — — US disclosed
EP-1810999-A1 AZO COMPOUND, INK COMPOSITION AND COLORING MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2007-07-25 — — EP 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-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article JAK1, TMT1A, CDK1 S1PR3 2237/4885PHLPP2 2764/4885ENPP2 4384/4885

“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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