SCHEMBL6543218

SCHEMBL6543218

CC(C)(C)OC(=O)NC(CCCc1cnc(N)cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 1/20 0.44
ITGB6 P18564 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CTSK P43235 7/20 0.41
CTSS P25774 2/20 0.40
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL6543211 1.00 ITGAV (0.44) ITGAVITGB6ITGB3ITGA2BALDH1A1
SCHEMBL2864718 0.86 ITGAV (0.47) ITGAVITGB6ITGB3ITGA2BALDH1A1
SCHEMBL2864714 0.86 ITGAV (0.47) ITGAVITGB6ITGB3ITGA2BALDH1A1
SCHEMBL6544474 0.84 ITGB3 (0.47) ITGB3ITGA2BALDH1A1TSHRCTSK
SCHEMBL31250725 0.80 CTSK (0.41) ITGAVITGB6ITGB3ITGA2BALDH1A1
SCHEMBL31250789 0.79 ITGB3 (0.42) ITGAVITGB6ITGB3ITGA2BALDH1A1
SCHEMBL31251110 0.79 ITGB3 (0.42) ITGAVITGB6ITGB3ITGA2BALDH1A1
SCHEMBL31250846 0.79 ALDH1A1 (0.40) ITGAVITGB6ITGB3ITGA2BALDH1A1
SCHEMBL2867696 0.78 PPARA (0.51) ITGAVITGB6ITGB3ITGA2BALDH1A1
SCHEMBL2867690 0.78 PPARA (0.51) ITGAVITGB6ITGB3ITGA2BALDH1A1

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
EP-1268469-B1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-6680329-B2 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-SYNTHELABO (FR) 2004-01-20 US disclosed
US-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-AVENTIS (FR) 2003-11-06 US disclosed
EP-1268469-A1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI-SYNTHELABO (FR) 2003-01-02 EP disclosed
WO-2001070736-A1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI-SYNTHELABO (FR) 2001-09-27 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-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants PROC, VKORC1, SERPINC1 ITGAV 1918/4885ITGB6 537/4885ITGB3 221/4885

“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.