Sugi Predict

Sugi Predict / Compounds / SCHEMBL3133278

SCHEMBL3133278

SCHEMBL3133278

C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.56
▸ CTSL P07711 4/20 0.56
▸ SYK P43405 1/20 0.55
▸ PPARA Q07869 3/20 0.52
▸ KLK5 Q9Y337 2/20 0.51
▸ APP P05067 1/20 0.51
▸ ATM Q13315 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ PPARG P37231 2/20 0.47

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
SCHEMBL3133276 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL31220447 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL8224022 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL20993818 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL6181712 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL13827783 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL16488769 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
Hydrochloric Acid SCHEMBL28347449 0.99 CTSS (0.55) CTSSCTSLSYKPPARAKLK5
SCHEMBL12873000 0.91 KLK5 (0.57) CTSSCTSLSYKPPARAKLK5
SCHEMBL6388701 0.91 KLK5 (0.57) CTSSCTSLSYKPPARAKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070945-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2026-03-12 — — US disclosed
US-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2026-01-22 — — US disclosed
EP-3681875-B1 CYCLIC PEPTIDE ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2026-01-14 — — EP disclosed
WO-2025235719-A1 DIMERIC SMAC MIMETICS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2025-11-13 — — WO disclosed
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2025-08-07 — — US disclosed
CN-111148739-B Cyclic peptide antibiotics 豪夫迈·罗氏有限公司 2025-06-03 — — CN disclosed
US-20250163104-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2025-05-22 — — US disclosed
EP-4526323-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2025-03-26 — — EP disclosed
EP-4499667-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2025-02-05 — — EP disclosed
US-20240409585-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2024-12-12 — — US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 — — US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 — — US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 — — US disclosed
WO-2012143497-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — WO disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — WO disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — WO disclosed
EP-1992611-B1 ISODIPEPTIDE USEFUL AS A SYNTHETIC UNIT FOR MAKING PEPTIDES KISO YOSHIAKI (JP) 2010-07-07 — — EP disclosed
US-20100152418-A1 Switch-Peptides as Tool for the Study of Fibrillogenesis EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2010-06-17 — — US disclosed
US-20090318669-A1 Novel Isodipeptide KISO YOSHIAKI 2009-12-24 — — US disclosed
EP-1992611-A1 NOVEL ISODIPEPTIDE Kiso, Yoshiaki (JP) 2008-11-19 — — EP 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-20250163104-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 CTSS 3108/4885CTSL 740/4885SYK 1717/4885
US-20090318669-A1 Novel Isodipeptide VIP, IAPP, ANPEP CTSS 2372/4885CTSL 50/4885SYK 2176/4885
US-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 CTSS 3560/4885CTSL 1408/4885SYK 2192/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 CTSS 471/4885CTSL 223/4885SYK 1914/4885
US-20260070945-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CTSS 3820/4885CTSL 1412/4885SYK 2631/4885
US-20240409585-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 CTSS 2930/4885CTSL 1210/4885SYK 2298/4885
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 CTSS 3008/4885CTSL 1298/4885SYK 2350/4885
US-20100152418-A1 Switch-Peptides as Tool for the Study of Fibrillogenesis IAPP, APP, SPPL2B CTSS 2143/4885CTSL 558/4885SYK 4267/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 CTSS 471/4885CTSL 223/4885SYK 1914/4885

“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.