SCHEMBL13880581

SCHEMBL13880581

CCN(CC)CCS(=O)(=O)c1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.68
▸ GNB1 P62873 5/20 0.68
▸ PHLPP2 Q6ZVD8 2/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ ALOX15 P16050 2/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ HPGD P15428 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ HIF1A Q16665 1/20 0.68
▸ P2RY4 P51582 9/20 0.61
▸ CHAT P28329 3/20 0.54
▸ ENPP3 O14638 1/20 0.54
▸ ENPP1 P22413 1/20 0.54
▸ P2RY2 P41231 5/20 0.50
▸ P2RY12 Q9H244 5/20 0.50
▸ P2RY6 Q15077 2/20 0.50

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
SCHEMBL13290349 0.89 GNG2 (0.78) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL10017872 0.87 GNG2 (0.76) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL19708510 0.87 GNG2 (0.76) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL11598798 0.86 GNG2 (0.74) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL16541422 0.85 GNG2 (0.68) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL23137211 0.84 GNG2 (0.64) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL2687745 0.84 GNG2 (0.71) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL30870099 0.84 GNG2 (0.71) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL9176117 0.83 GNG2 (0.70) GNG2GNB1PHLPP2CYP1A2CYP2C9
SCHEMBL14528558 0.83 GNG2 (0.70) GNG2GNB1PHLPP2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968453-B2 Anthrapyridone sulfonic acid compounds and their preparation methods and applications Zhuhai Ninestar Management Co., Ltd. (CN) 2015-03-03 — — US disclosed
US-8968453-B2 Anthrapyridone sulfonic acid compounds and their preparation methods and applications Zhuhai Ninestar Management Co., Ltd. (CN) 2015-03-03 — — 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
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 GNG2 1746/4885GNB1 1766/4885PHLPP2 1011/4885

“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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