Sugi Predict

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SCHEMBL9910753

SCHEMBL9910753

C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.48
▸ CTSS P25774 7/20 0.48
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 2/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL25168226 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL13017677 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL18755031 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL10190348 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL1536360 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL18799498 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL12556753 0.80 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL31407815 0.79 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL31407801 0.79 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL12130746 0.79 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577259-B2 PCSK9 antagonist compounds MERCK SHARP & DOHME LLC (US) 2026-03-17 — — US disclosed
WO-2025235719-A1 DIMERIC SMAC MIMETICS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2025-11-13 — — WO disclosed
US-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-11 — — US disclosed
US-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-11 — — US disclosed
US-9212167-B2 Mitochondrial targeted stimulators of apoptosis THE ROCKEFELLER UNIVERSITY (US) 2015-12-15 — — US disclosed
US-9212167-B2 Mitochondrial targeted stimulators of apoptosis THE ROCKEFELLER UNIVERSITY (US) 2015-12-15 — — US disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 — — US disclosed
US-20130244325-A1 MITOCHONDRIAL TARGETED STIMULATORS OF APOPTOSIS THE ROCKEFELLER UNIVERSITY (US) 2013-09-19 — — US disclosed
US-20130244325-A1 MITOCHONDRIAL TARGETED STIMULATORS OF APOPTOSIS THE ROCKEFELLER UNIVERSITY (US) 2013-09-19 — — US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 — — US disclosed
US-20120141496-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2012-06-07 — — US disclosed
US-8063095-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents PHARMASCIENCE INC. (CA) 2011-11-22 — — US disclosed
WO-2010138666-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 — — WO disclosed
US-7795298-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2010-09-14 — — US disclosed
US-7589118-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-09-15 — — US disclosed
US-7547724-B2 IAP BIR domain binding compounds AEGERA THERPEUTICS, INC. 2009-06-16 — — US disclosed
US-20080014207-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2008-01-17 — — US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 — — US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — 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 (9 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-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 CTSK 3746/4885CTSS 3522/4885CA1 3416/4885
US-20080014207-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 CTSK 3746/4885CTSS 3522/4885CA1 3416/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX CTSK 4225/4885CTSS 3955/4885CA1 3209/4885
US-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CTSK 320/4885CTSS 374/4885CA1 1913/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 CTSK 3941/4885CTSS 3637/4885CA1 3097/4885
US-20120141496-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 CTSK 4161/4885CTSS 3687/4885CA1 1607/4885
US-12577259-B2 PCSK9 antagonist compounds PCSK9, LDLR, PCSK6 CTSK 539/4885CTSS 564/4885CA1 3801/4885
US-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CTSK 257/4885CTSS 240/4885CA1 3492/4885
US-20130244325-A1 MITOCHONDRIAL TARGETED STIMULATORS OF APOPTOSIS AIFM1, BID, TFAM CTSK 3026/4885CTSS 2027/4885CA1 4371/4885

“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.