SCHEMBL25152122

SCHEMBL25152122

COC(=O)[C@H](Cc1ccc2nc(OC)ccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.49
CTSK P43235 8/20 0.49
CTSB P07858 4/20 0.49
KLK5 Q9Y337 1/20 0.48
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
ACE P12821 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CTSL P07711 1/20 0.40

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
SCHEMBL3317027 1.00 CTSS (0.49) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL29919513 1.00 CTSS (0.49) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL4624438 0.92 PTPN1 (0.54) CTSSCTSKCTSBPTPN1ACE
SCHEMBL3314491 0.89 CTSS (0.48) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL3317006 0.88 CTSS (0.54) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL3314540 0.88 CTSS (0.45) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL3316020 0.86 CTSB (0.46) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL3316885 0.86 CTSS (0.45) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL25152271 0.85 CTSB (0.42) CTSSCTSKCTSBPTPN1KDM4E
SCHEMBL29919486 0.85 CTSB (0.42) CTSSCTSKCTSBPTPN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168648-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2024-12-17 US disclosed
US-20240092746-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. 2024-03-21 US disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-20220356157-A1 OPIOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 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 (4 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-20240092746-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 CTSS 3392/4885CTSK 2792/4885CTSB 3264/4885
US-12168648-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 CTSS 3392/4885CTSK 2792/4885CTSB 3264/4885
US-11634396-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 CTSS 3392/4885CTSK 2792/4885CTSB 3264/4885
US-20220356157-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 CTSS 3392/4885CTSK 2792/4885CTSB 3264/4885

“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.