SCHEMBL1317279

SCHEMBL1317279

COCC(C)NC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)o1)C1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 18/20 0.79
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL7912452 1.00 MMP13 (0.79) MMP13SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL1319136 0.89 MMP13 (1.00) MMP13
SCHEMBL1318244 0.83 MMP13 (0.79) MMP13
SCHEMBL1317326 0.82 MMP13 (0.83) MMP13
SCHEMBL7912740 0.80 MMP13 (0.58) MMP13
SCHEMBL1316531 0.80 MMP13 (0.58) MMP13
SCHEMBL1317251 0.80 MMP13 (0.58) MMP13
SCHEMBL1317323 0.77 MMP13 (0.78) MMP13
SCHEMBL1317320 0.77 MMP13 (0.78) MMP13
SCHEMBL7911602 0.74 MMP13 (0.83) 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 9 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
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 1/4885SMN1; SMN2 3681/4885MEN1 1910/4885

“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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