SCHEMBL299855

SCHEMBL299855

CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)C1NCCS1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
HDAC1 Q13547 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSK P43235 5/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
CTSS P25774 2/20 0.37
CXCR3 P49682 1/20 0.35
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL4955709 0.85 CTSK (0.34) ITGB3ITGA2BHDAC1HDAC4HDAC6
SCHEMBL4955696 0.84 CTSK (0.37) ITGB3ITGA2BHDAC1HDAC4HDAC6
SCHEMBL4910519 0.83 ITGB3 (0.43) ITGB3ITGA2BHDAC1HDAC4HDAC6
SCHEMBL1733549 0.77 KMT2A (0.39) CTSKCTSSHDAC8
SCHEMBL22493536 0.74 ITGB3 (0.38) ITGB3ITGA2BCTSKCTSS
SCHEMBL22493537 0.74 ITGB3 (0.38) ITGB3ITGA2BCTSKCTSS
SCHEMBL23608150 0.74 CTSK (0.49) ITGB3ITGA2BHDAC1HDAC4HDAC6
SCHEMBL2804552 0.74 CTSK (0.49) ITGB3ITGA2BHDAC1HDAC4HDAC6
SCHEMBL7150850 0.74 CTSK (0.49) ITGB3ITGA2BHDAC1HDAC4HDAC6
SCHEMBL376450 0.74 FOLH1 (0.53) ITGB3ITGA2BHDAC1HDAC4HDAC6

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-8470855-B2 Dual-use peptidase inhibitors as prodrugs for a therapy of inflammatory and other diseases IMTM GMBH (DE) 2013-06-25 US disclosed
EP-1948627-B1 NOVEL DUAL PEPTIDASE INHIBITORS AS PRODRUGS FOR THE THERAPY OF INFLAMMATORY AND OTHER DISORDERS IMTM GMBH (DE) 2012-03-14 EP disclosed
US-20090124667-A1 Novel Dual-Use Peptidase Inhibitors as Prodrugs for a Therapy of Inflammatory and Other Diseases IMTM GMBH (DE) 2009-05-14 US disclosed
EP-1948627-A1 NOVEL DUAL PEPTIDASE INHIBITORS AS PRODRUGS FOR THE THERAPY OF INFLAMMATORY AND OTHER DISORDERS IMTM GmbH (DE) 2008-07-30 EP disclosed
WO-2007057128-A1 NOVEL DUAL PEPTIDASE INHIBITORS AS PRODRUGS FOR THE THERAPY OF INFLAMMATORY AND OTHER DISORDERS IMTM GMBH (DE) 2007-05-24 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-20090124667-A1 Novel Dual-Use Peptidase Inhibitors as Prodrugs for a Therapy of Inflammatory and Other Diseases CTSL, DAO, PEPD ITGB3 3826/4885ITGA2B 2892/4885HDAC1 1871/4885

“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.