SCHEMBL820490

SCHEMBL820490

CCOC(=O)/C=C/[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TSHR P16473 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL25706923 0.84 MEN1 (0.38) MEN1KMT2AALDH1A1CHRM2CHRM1
SCHEMBL18259376 0.83 ALDH1A1 (0.34) MEN1KMT2AALDH1A1TSHRHCAR2
SCHEMBL18259497 0.83 ALDH1A1 (0.34) MEN1KMT2AALDH1A1TSHRHCAR2
SCHEMBL18259375 0.83 ALDH1A1 (0.34) MEN1KMT2AALDH1A1TSHRHCAR2
SCHEMBL22009220 0.83 ALDH1A1 (0.34) MEN1KMT2AALDH1A1TSHRHCAR2
SCHEMBL820844 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL375388 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL375387 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL14303234 0.81 CHRM2 (0.38) MEN1KMT2AALDH1A1CHRM2CHRM1
SCHEMBL21413792 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1TSHRHCAR2

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 11 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-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-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
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO disclosed
WO-2008014263-A2 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-01-31 WO disclosed
US-20080020986-A1 DIMERIC IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2008-01-24 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 MEN1 1628/4885KMT2A 3244/4885ALDH1A1 4403/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 MEN1 1940/4885KMT2A 4487/4885ALDH1A1 4283/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 MEN1 1589/4885KMT2A 3092/4885ALDH1A1 4622/4885

“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.