SCHEMBL21639072

SCHEMBL21639072

CC(C)(C)OC(=O)NC(Cc1ccc(C#N)c(F)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.57
CTSK P43235 11/20 0.57
PTPN1 P18031 2/20 0.56
TRPA1 O75762 1/20 0.56
CTSB P07858 4/20 0.53
ACE P12821 1/20 0.53
CTSL P07711 2/20 0.52
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL21639070 1.00 CTSS (0.57) CTSSCTSKPTPN1TRPA1CTSB
SCHEMBL31757439 0.91 TRPA1 (0.56) CTSSCTSKPTPN1TRPA1CTSB
SCHEMBL25152869 0.90 TRPA1 (0.55) CTSSCTSKPTPN1TRPA1CTSB
SCHEMBL29919594 0.90 TRPA1 (0.55) CTSSCTSKPTPN1TRPA1CTSB
SCHEMBL14779116 0.90 TRPA1 (0.51) CTSSCTSKPTPN1TRPA1CTSB
SCHEMBL29529403 0.87 TRPA1 (0.55) CTSSCTSKPTPN1TRPA1CTSB
SCHEMBL1516519 0.86 PTPN1 (0.61) CTSSCTSKPTPN1CTSBACE
SCHEMBL1516520 0.86 PTPN1 (0.61) CTSSCTSKPTPN1CTSBACE
SCHEMBL2573377 0.86 PTPN1 (0.61) CTSSCTSKPTPN1CTSBACE
SCHEMBL29398351 0.86 PTPN1 (0.61) CTSSCTSKPTPN1CTSBACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092746-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. 2024-03-21 US disclosed
EP-4320105-A1 OPIOID RECEPTOR MODULATORS Epiodyne, Inc. (US) 2024-02-14 EP disclosed
CN-117425644-A Opioid receptor modulators 埃皮欧黛公司 2024-01-19 CN disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 US disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 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 (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 2792/4885PTPN1 1220/4885
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 CTSS 2496/4885CTSK 1639/4885PTPN1 1236/4885
US-11634396-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 CTSS 3392/4885CTSK 2792/4885PTPN1 1220/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 CTSS 2496/4885CTSK 1639/4885PTPN1 1236/4885

“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.