SCHEMBL7913065

SCHEMBL7913065

CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C1CCCC1

nearest known ligand 0.98

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 19/20 0.98
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL16389130 0.99 MMP13 (1.00) MMP13NPC1RAB9AL3MBTL1
SCHEMBL7911631 0.99 MMP13 (1.00) MMP13NPC1RAB9AL3MBTL1
SCHEMBL7909649 0.95 MMP13 (0.89) MMP13NPC1RAB9AL3MBTL1
SCHEMBL7912458 0.90 MMP13 (0.81) MMP13NPC1RAB9AL3MBTL1
SCHEMBL16389137 0.90 MMP13 (0.81) MMP13NPC1RAB9AL3MBTL1
SCHEMBL1320127 0.89 MMP13 (1.00) MMP13
SCHEMBL12123376 0.89 MMP13 (0.80) MMP13
SCHEMBL7912168 0.88 MMP13 (0.82) MMP13
SCHEMBL16389136 0.88 MMP13 (0.82) MMP13
SCHEMBL7912546 0.88 MMP13 (0.82) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346831-B1 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 — — EP disclosed
EP-2346831-B1 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 — — EP disclosed
US-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 — — US disclosed
US-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 — — US disclosed
US-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 — — US disclosed
US-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
US-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
WO-2010056585-A2 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-20 — — 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-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 MMP13 1/4885NPC1 1853/4885RAB9A 1137/4885

“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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