SCHEMBL3020872

SCHEMBL3020872

Nc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1.[NaH]

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.98
▸ GNB1 P62873 5/20 0.98
▸ P2RY4 P51582 9/20 0.77
▸ CYP1A2 P05177 2/20 0.76
▸ CYP2C9 P11712 2/20 0.76
▸ ALOX15 P16050 2/20 0.76
▸ HSD17B10 Q99714 2/20 0.76
▸ PHLPP2 Q6ZVD8 2/20 0.76
▸ ALDH1A1 P00352 1/20 0.76
▸ CYP3A4 P08684 1/20 0.76
▸ HPGD P15428 1/20 0.76
▸ MAPK1 P28482 1/20 0.76
▸ CYP2C19 P33261 1/20 0.76
▸ HIF1A Q16665 1/20 0.76
▸ P2RY2 P41231 6/20 0.62
▸ P2RY12 Q9H244 6/20 0.62
▸ P2RY6 Q15077 3/20 0.61
▸ CDK2 P24941 2/20 0.61
▸ P2RY1 P47900 2/20 0.61
▸ ENPP3 O14638 1/20 0.58

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
SCHEMBL2778373 0.99 GNG2 (1.00) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL7166757 0.98 GNG2 (0.98) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL8640965 0.91 GNG2 (0.85) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL790823 0.90 GNG2 (0.83) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL790523 0.89 GNG2 (0.79) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL792757 0.89 GNG2 (0.79) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL791497 0.89 GNG2 (0.85) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL791019 0.89 GNG2 (0.85) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL29357302 0.89 GNG2 (0.85) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL8639112 0.89 GNG2 (0.81) GNG2GNB1P2RY4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129653-B1 NOVEL P2Y12 RECEPTOR ANTAGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2017-05-17 — — EP disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 — — US disclosed
EP-1967513-A1 Novel P2Y12 receptor antagonists Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2008-09-10 — — EP disclosed
US-6554874-B1 Mixture of a bis(anthraquinonyl) substituted blue triazine dye; disazo triazine yellow- or orange dye; and disazo hydroxy-containing triazine red dye CIBA SPECIALTY CHEMICALS CORPORATION 2003-04-29 — — 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-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY11, P2RY13 GNG2 233/4885GNB1 314/4885P2RY4 8/4885

“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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