SCHEMBL13287378

SCHEMBL13287378

COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 12/20 0.58
▸ P2RY2 P41231 7/20 0.58
▸ GNG2 P59768 5/20 0.52
▸ GNB1 P62873 5/20 0.52
▸ PHLPP2 Q6ZVD8 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ MET P08581 1/20 0.50
▸ P2RY12 Q9H244 1/20 0.46

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
SCHEMBL13880559 0.86 P2RY4 (0.59) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL2686350 0.86 GNG2 (0.68) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL13880596 0.85 P2RY4 (0.58) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL29389464 0.85 P2RY4 (0.58) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL2687745 0.84 GNG2 (0.71) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL30870099 0.84 GNG2 (0.71) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL19921893 0.83 GNG2 (0.70) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL13214078 0.82 P2RY4 (0.79) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL790525 0.81 P2RY4 (0.78) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL11327959 0.80 P2RY4 (0.62) P2RY4P2RY2GNG2GNB1PHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100151134-A1 MIXTURES OF REACTIVE DYES AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2010-06-17 — — US 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

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 P2RY4 4779/4885P2RY2 4790/4885GNG2 1746/4885

“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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