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Sugi Predict / Compounds / SCHEMBL820559

SCHEMBL820559

SCHEMBL820559

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)c2c[nH]c3cc(F)ccc23)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.38
▸ HAT1 O14929 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MDH2 P40926 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL819671 1.00 TGM2 (0.38) TGM2HAT1EP300POLBPDK1
SCHEMBL20426028 0.85 HAT1 (0.36) TGM2HAT1EP300ALDH1A1HPGD
SCHEMBL29993187 0.84 POLB (0.48) TGM2HAT1EP300POLBALDH1A1
SCHEMBL818307 0.84 POLB (0.48) TGM2HAT1EP300POLBALDH1A1
SCHEMBL820899 0.84 POLB (0.48) TGM2HAT1EP300POLBALDH1A1
SCHEMBL820580 0.84 POLB (0.48) TGM2HAT1EP300POLBALDH1A1
SCHEMBL17277666 0.84 POLB (0.48) TGM2HAT1EP300POLBALDH1A1
SCHEMBL19540488 0.84 GABRA1 (0.39) TGM2HAT1EP300POLBALDH1A1
SCHEMBL29993510 0.84 POLB (0.48) TGM2HAT1EP300POLBALDH1A1
SCHEMBL7488827 0.79 POLB (0.43) POLBPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149500-A1 SMAC MIMETIC MEDIVIR AB (SE) 2023-05-18 — — 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
EP-2448923-B1 SMAC MIMETIC TETRALOGIC PHARM CORP (US) 2015-11-25 — — EP 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-8986993-B2 SMAC mimetic for treating myelodysplastic syndromes TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-03-24 — — US disclosed
US-20140243276-A1 SMAC MIMETIC (BIRINAPANT) FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES (CANCER) TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-28 — — US disclosed
US-20140243276-A1 SMAC MIMETIC (BIRINAPANT) FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES (CANCER) TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-28 — — US disclosed
US-20140073579-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2014-03-13 — — US disclosed
US-20140073579-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2014-03-13 — — US disclosed
WO-2013049350-A1 SMAC MIMETIC (BIRINAPANT) FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES (CANCER) TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-04-04 — — WO disclosed
US-20130012564-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-01-10 — — 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-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 — — 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 (10 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 TGM2 3272/4885HAT1 114/4885EP300 487/4885
US-20140243276-A1 SMAC MIMETIC (BIRINAPANT) FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES (CANCER) BIRC5, BIRC3, BIRC7 TGM2 3341/4885HAT1 2694/4885EP300 1054/4885
US-20150158908-A1 SMAC Mimetic for Treating Myelodysplastic Syndromes MCL1, MPL, THPO TGM2 1634/4885HAT1 264/4885EP300 533/4885
US-20110003877-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 TGM2 3272/4885HAT1 114/4885EP300 487/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 TGM2 2575/4885HAT1 4273/4885EP300 2846/4885
US-20170182116-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 TGM2 3272/4885HAT1 114/4885EP300 489/4885
US-10034912-B2 SMAC Mimetic SMARCC1, SMARCC2, MCL1 TGM2 3272/4885HAT1 114/4885EP300 487/4885
US-20120115922-A1 SMAC MIMETEC SMARCC1, SMARCC2, SMARCE1 TGM2 3340/4885HAT1 303/4885EP300 726/4885
US-20230149500-A1 SMAC MIMETIC SMARCC1, SMARCC2, MCL1 TGM2 3272/4885HAT1 114/4885EP300 487/4885
US-20140073579-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 TGM2 3272/4885HAT1 114/4885EP300 487/4885

“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.