SCHEMBL950474

SCHEMBL950474

[2H]c1c(CC2CC(OC(C)=O)CN2C(=O)OCc2ccccc2)c2ccc(F)cc2n1[2H]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
POLB P06746 1/20 0.35
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2C P28335 1/20 0.33
PDE5A O76074 1/20 0.33
GFER P55789 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
PKM P14618 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL952698 0.88 POLB (0.42) POLBNPSR1HTR2CPDE5AGFER
SCHEMBL12944880 0.88 TGM2 (0.41) CTSKPOLBCTSBCTSSTGM2
SCHEMBL29993724 0.88 TGM2 (0.41) CTSKPOLBCTSBCTSSTGM2
SCHEMBL946384 0.88 TGM2 (0.41) CTSKPOLBCTSBCTSSTGM2
SCHEMBL5019943 0.88 TGM2 (0.41) CTSKPOLBCTSBCTSSTGM2
SCHEMBL5019960 0.83 TGM2 (0.40) CTSKPOLBCTSBCTSSTGM2
SCHEMBL950380 0.83 BIRC3 (0.44) CTSKPOLBCTSBCTSSNPSR1
SCHEMBL21286695 0.83 BIRC3 (0.44) CTSKPOLBCTSBCTSSNPSR1
SCHEMBL5019944 0.83 BIRC3 (0.44) CTSKPOLBCTSBCTSSNPSR1
SCHEMBL12944881 0.83 BIRC3 (0.44) CTSKPOLBCTSBCTSSNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11951147-B2 SMAC mimetic MEDIVIR AB (SE) 2024-04-09 US disclosed
US-20200282002-A1 SMAC Mimetic MEDIVIR AB (SE) 2020-09-10 US disclosed
US-10596220-B2 SMAC mimetic MEDIVIR AB (SE) 2020-03-24 US disclosed
US-20190255139-A1 SMAC Mimetic MEDIVIR AB (SE) 2019-08-22 US disclosed
US-10314881-B2 SMAC mimetic MEDIVIR AB (SE) 2019-06-11 US disclosed
US-20180303897-A1 SMAC Mimetic MEDIVIR AB (SE) 2018-10-25 US disclosed
US-10034912-B2 SMAC Mimetic TetraLogic Birinapant UK Ltd. (GB) 2018-07-31 US disclosed
US-20170182116-A1 SMAC Mimetic MEDIVIR AB (SE) 2017-06-29 US disclosed
US-20150158908-A1 SMAC Mimetic for Treating Myelodysplastic Syndromes TETRALOGIC BIRINAPANT UK LTD (GB) 2015-06-11 US disclosed
US-8986993-B2 SMAC mimetic for treating myelodysplastic syndromes TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-03-24 US disclosed
US-20140073579-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2014-03-13 US disclosed
US-8603816-B2 SMAC mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-12-10 US disclosed
US-20130012564-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-01-10 US disclosed
US-8283372-B2 2-(1H-indol-3-ylmethyl)-pyrrolidine dimer as a SMAC mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-10-09 US disclosed
US-20120115922-A1 SMAC MIMETEC MEDIVIR AB (SE) 2012-05-10 US disclosed
US-20110003877-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-01-06 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 (13 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-20130012564-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2379/4885
US-10596220-B2 SMAC mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2382/4885
US-20150158908-A1 SMAC Mimetic for Treating Myelodysplastic Syndromes MCL1, MPL, THPO CTSK 3669/4885POLB 356/4885CTSB 2982/4885
US-20110003877-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2379/4885
US-10314881-B2 SMAC mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2379/4885
US-20170182116-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2382/4885
US-11951147-B2 SMAC mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2382/4885
US-10034912-B2 SMAC Mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2379/4885
US-20120115922-A1 SMAC MIMETEC SMARCC1, SMARCC2, SMARCE1 CTSK 3082/4885POLB 83/4885CTSB 2612/4885
US-20140073579-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2379/4885
US-20200282002-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2382/4885
US-20190255139-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2379/4885
US-20180303897-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 CTSK 3104/4885POLB 126/4885CTSB 2379/4885

“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.