SCHEMBL116370

SCHEMBL116370

C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
PREP P48147 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL115203 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL374638 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL13216511 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL823030 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL10109734 0.84 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL31540638 0.84 HSD17B10 (0.38) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL14375092 0.84 HSD17B10 (0.38) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL820289 0.84 CHRM2 (0.41) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL31177073 0.84 HSD17B10 (0.38) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL116492 0.81 ALDH1A1 (0.37) CHRM2CHRM1CHRM3HSD17B10HPGD

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 15 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US 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-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-7989640-B2 Sulfonylpyrrolidine modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 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
US-20110015408-A1 SULFONYLPYRROLIDINE MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 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 (5 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 CHRM2 4860/4885CHRM1 4855/4885CHRM3 4867/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 CHRM2 4873/4885CHRM1 4878/4885CHRM3 4861/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 CHRM2 915/4885CHRM1 508/4885CHRM3 1303/4885
US-20110015408-A1 SULFONYLPYRROLIDINE MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD AR, NR5A1, NR4A1 CHRM2 685/4885CHRM1 672/4885CHRM3 840/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 CHRM2 4660/4885CHRM1 4718/4885CHRM3 4728/4885

“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.