SCHEMBL2452129

SCHEMBL2452129

Cc1ccc(S(=O)(=O)OCCC(c2c[nH]c3cc(F)ccc23)C2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
PSEN1 P49768 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL2452133 0.86 BRD3 (0.41) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL2451890 0.84 BRD3 (0.36) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL13448836 0.83 BRD3 (0.39) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL2449392 0.79 BRD3 (0.38) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL13448818 0.75 TGM2 (0.41) LMNA
SCHEMBL1752574 0.72 TNF (0.34) HTR1DHTR1BKMT2A
SCHEMBL2631835 0.71 TDO2 (0.35) DRD2HTR2AHTR7TDO2BRD3
SCHEMBL12329378 0.71 CYP1A2 (0.35) HTR2ATDO2BRD3NR1H3NR1H2
SCHEMBL29285446 0.71 LMNA (0.45) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL12303252 0.71 HRH2 (0.43) APPHTR1AADRA2ADRD2ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920093-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2018-03-20 US disclosed
US-20160355547-A1 Dimeric IAP Inhibitors TETRALOGIC BIRINAPANT UK LTD (GB) 2016-12-08 US disclosed
US-20160052965-A1 Dimeric IAP Inhibitors TetraLogic Birinapant UK Ltd. (GB) 2016-02-25 US disclosed
US-9187490-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2015-11-17 US disclosed
US-20140329823-A1 Dimeric IAP Inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-11-06 US disclosed
US-8822525-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-09-02 US disclosed
EP-1851200-B1 DIMERIC IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2014-01-15 EP disclosed
US-20130289042-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 US disclosed
US-8497297-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-30 US disclosed
US-20110301151-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION 2011-12-08 US disclosed
US-8022230-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-09-20 US disclosed
US-20100075911-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-7517906-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20060194741-A1 Dimeric IAP inhibitors MEDIVIR AB (SE) 2006-08-31 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 (7 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-20100075911-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 APP 1148/4885HTR1A 1567/4885ADRA2A 4711/4885
US-20110301151-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 APP 1148/4885HTR1A 1567/4885ADRA2A 4711/4885
US-20140329823-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 APP 1148/4885HTR1A 1567/4885ADRA2A 4711/4885
US-20160052965-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 APP 1148/4885HTR1A 1567/4885ADRA2A 4711/4885
US-20060194741-A1 Dimeric IAP inhibitors BIRC2, BIRC3, BIRC5 APP 1009/4885HTR1A 2235/4885ADRA2A 4732/4885
US-20160355547-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 APP 1148/4885HTR1A 1567/4885ADRA2A 4711/4885
US-20130289042-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 APP 1148/4885HTR1A 1567/4885ADRA2A 4711/4885

“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.