Sugi Predict

Sugi Predict / Compounds / SCHEMBL820899

SCHEMBL820899

SCHEMBL820899

O=C(c1c[nH]c2cc(F)ccc12)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ HAT1 O14929 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ TGM2 P21980 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MDH2 P40926 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL818307 1.00 POLB (0.48) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL29993510 1.00 POLB (0.48) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL820580 1.00 POLB (0.48) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL17277666 1.00 POLB (0.48) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL29993187 1.00 POLB (0.48) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL19540488 0.91 GABRA1 (0.39) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL30416174 0.89 POLB (0.50) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL819671 0.84 TGM2 (0.38) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL820559 0.84 TGM2 (0.38) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL17267909 0.83 TDO2 (0.41) ALDH1A1HPGD

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149500-A1 SMAC MIMETIC MEDIVIR AB (SE) 2023-05-18 — — US disclosed
US-11351221-B2 SMAC mimetic MEDIVIR AB (SE) 2022-06-07 — — 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-10034912-B2 SMAC Mimetic TetraLogic Birinapant UK Ltd. (GB) 2018-07-31 — — 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-20170182116-A1 SMAC Mimetic MEDIVIR AB (SE) 2017-06-29 — — 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-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-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-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
US-20110003877-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-01-06 — — US disclosed
WO-2011002684-A1 SMAC MIMETIC TETRALOGIC PHARMACEUTICALS CORP. (US) 2011-01-06 — — WO disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 — — WO 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 (11 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-10596220-B2 SMAC mimetic SMARCC1, SMARCC2, MCL1 POLB 126/4885GABRA1 3571/4885GABRG2 3213/4885
US-20110003877-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 POLB 126/4885GABRA1 3571/4885GABRG2 3214/4885
US-10314881-B2 SMAC mimetic SMARCC1, SMARCC2, MCL1 POLB 126/4885GABRA1 3571/4885GABRG2 3214/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 POLB 3282/4885GABRA1 4516/4885GABRG2 4135/4885
US-20170182116-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 POLB 126/4885GABRA1 3571/4885GABRG2 3213/4885
US-10034912-B2 SMAC Mimetic SMARCC1, SMARCC2, MCL1 POLB 126/4885GABRA1 3571/4885GABRG2 3214/4885
US-20120115922-A1 SMAC MIMETEC SMARCC1, SMARCC2, SMARCE1 POLB 83/4885GABRA1 3549/4885GABRG2 3301/4885
US-20230149500-A1 SMAC MIMETIC SMARCC1, SMARCC2, MCL1 POLB 126/4885GABRA1 3571/4885GABRG2 3214/4885
US-11351221-B2 SMAC mimetic SMARCC1, SMARCC2, MCL1 POLB 126/4885GABRA1 3571/4885GABRG2 3213/4885
US-20200282002-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 POLB 126/4885GABRA1 3571/4885GABRG2 3213/4885
US-20190255139-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 POLB 126/4885GABRA1 3571/4885GABRG2 3214/4885

“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.