SCHEMBL375113

SCHEMBL375113

CC(=O)OC1CC(Cc2cn(C(C)=O)c3ncccc23)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ITGB1 P05556 9/20 0.37
ITGA5 P08648 9/20 0.37
ITGB3 P05106 5/20 0.37
ITGAV P06756 5/20 0.37
ITGB5 P18084 4/20 0.36
ITGA2B P08514 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL375043 0.89 POLB (0.45) ELANEPOLB
SCHEMBL820456 0.89 POLB (0.45) ELANEPOLB
SCHEMBL820670 0.88 ELANE (0.36) ELANEITGB1ITGA5ITGB3ITGAV
SCHEMBL818205 0.82 MET (0.41) HCRTR1HCRTR2ITGB1ITGA5ITGB3
SCHEMBL820249 0.82 MET (0.41) HCRTR1HCRTR2ITGB1ITGA5ITGB3
SCHEMBL820565 0.78 ERAP2 (0.43)
SCHEMBL818648 0.73 TSHR (0.45)
SCHEMBL820466 0.73 TSHR (0.45)
SCHEMBL946384 0.72 TGM2 (0.41) POLB
SCHEMBL12944880 0.72 TGM2 (0.41) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049563-B1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARM CORP (US) 2014-03-12 EP disclosed
EP-2409984-A1 Dimeric IAP Antagonists TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2012-01-25 EP disclosed
US-20110305777-A1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-15 US disclosed
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
US-7985735-B2 mimetics of the activity of the N-terminal portion of Smac/tertiary binding structure to IAPs, can be combined with chemotherapeutic agents like topoisomerase inhibitors, kinase inhibitors, NSAIDs, taxanes and platinum containing compounds; increased cell permeability, water solubility; antitumor agents TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-07-26 US disclosed
US-20080020986-A1 DIMERIC IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2008-01-24 US 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 (3 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-20080020986-A1 DIMERIC IAP INHIBITORS BIRC2, BIRC7, BIRC8 ELANE 2407/4885HCRTR1 4665/4885HCRTR2 4581/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 ELANE 616/4885HCRTR1 4617/4885HCRTR2 4775/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 ELANE 2140/4885HCRTR1 4299/4885HCRTR2 3892/4885

“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.