SCHEMBL820872

SCHEMBL820872

CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/COS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL375668 1.00 ALDH1A1 (0.31) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL375060 0.85 ALDH1A1 (0.34) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL375059 0.85 ALDH1A1 (0.34) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL820502 0.85 ALDH1A1 (0.34) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL818916 0.83 CHRM2 (0.33)
SCHEMBL820866 0.83 CHRM2 (0.33)
SCHEMBL402245 0.83 CHRM2 (0.33)
SCHEMBL820263 0.82
SCHEMBL4467745 0.81 HCRTR2 (0.36) ALDH1A1MEN1TSHRKMT2AL3MBTL1
SCHEMBL20471851 0.79 HSD17B10 (0.34) ALDH1A1MEN1LMNATSHRKMT2A

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
US-20110305777-A1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-15 US 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 ALDH1A1 4403/4885MEN1 1628/4885LMNA 925/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 ALDH1A1 4283/4885MEN1 1940/4885LMNA 994/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 ALDH1A1 4622/4885MEN1 1589/4885LMNA 1083/4885

“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.