Sugi Predict

Sugi Predict / Compounds / SCHEMBL3065366

SCHEMBL3065366

SCHEMBL3065366

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.64
▸ CTSB P07858 3/20 0.64
▸ CTSS P25774 3/20 0.64
▸ CTSK P43235 3/20 0.64
▸ TYR P14679 2/20 0.64
▸ TACR1 P25103 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ CTRB1 P17538 2/20 0.58
▸ MME P08473 1/20 0.56
▸ ECE1 P42892 1/20 0.56
▸ TGM2 P21980 1/20 0.56
▸ ITGB3 P05106 1/20 0.56
▸ ITGA2B P08514 1/20 0.56

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
SCHEMBL30343691 1.00 CTSL (0.64) CTSLCTSBCTSSCTSKTYR
SCHEMBL15080871 0.94 TACR1 (0.68) CTSLCTSBCTSSCTSKTYR
SCHEMBL11199738 0.92 CTSL (0.62) CTSLCTSBCTSSCTSKTYR
SCHEMBL2402461 0.92 ALDH1A1 (0.67) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7294741 0.92 ALDH1A1 (0.67) CTSLCTSBCTSSCTSKTACR1
SCHEMBL2420122 0.92 ALDH1A1 (0.67) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8765789 0.92 CTSL (0.58) CTSLCTSBCTSSCTSKTYR
SCHEMBL10507966 0.91 ECE1 (0.65) CTSLCTSBCTSSCTSKTYR
SCHEMBL221300 0.91 ECE1 (0.65) CTSLCTSBCTSSCTSKTYR
SCHEMBL1702159 0.91 ECE1 (0.65) CTSLCTSBCTSSCTSKTYR

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 42 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — US disclosed
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2025-08-07 — — US 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-20240360178-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2024-10-31 — — US disclosed
EP-4441069-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-10-09 — — EP disclosed
EP-4419540-A1 IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-08-28 — — EP disclosed
WO-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 — — WO disclosed
WO-2022204412-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-29 — — WO disclosed
WO-2021043231-A1 DUAL-TARGETING MATERIAL AND USE THEREOF IN DRUG DELIVERY 沈阳药科大学 2021-03-11 — — WO disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 — — US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 — — US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 — — US disclosed
US-20100222549-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES NIH-DEITR 2010-09-02 — — US disclosed
EP-2139859-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES The Board Of Trustees Of The University Of Illinois (US) 2010-01-06 — — EP disclosed
WO-2008134058-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-11-06 — — WO disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 — — 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 (8 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 CTSL 740/4885CTSB 2270/4885CTSS 3108/4885
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP CTSL 1810/4885CTSB 3377/4885CTSS 3911/4885
US-20260070945-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CTSL 1412/4885CTSB 3639/4885CTSS 3820/4885
US-20240360178-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 CTSL 1298/4885CTSB 2593/4885CTSS 3008/4885
US-20240409585-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 CTSL 1210/4885CTSB 2441/4885CTSS 2930/4885
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 CTSL 1298/4885CTSB 2593/4885CTSS 3008/4885
US-20100222549-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES TST, SCLY, AP2S1 CTSL 4308/4885CTSB 4433/4885CTSS 3390/4885
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 CTSL 245/4885CTSB 861/4885CTSS 536/4885

“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.