SCHEMBL4600181

SCHEMBL4600181

CON(C)C(=O)C(Cc1ccccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.62
CTSK P43235 3/20 0.62
JAK3 P52333 1/20 0.54
BTK Q06187 1/20 0.54
PTPN1 P18031 1/20 0.52
SCN9A Q15858 12/20 0.51
SCN10A Q9Y5Y9 1/20 0.44
TACR1 P25103 1/20 0.43

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
SCHEMBL269453 1.00 CTSS (0.62) CTSSCTSKJAK3BTKPTPN1
SCHEMBL268271 0.87 JAK3 (0.55) CTSSCTSKJAK3BTKPTPN1
SCHEMBL270313 0.87 JAK3 (0.48) CTSSCTSKJAK3BTKPTPN1
SCHEMBL268958 0.87 JAK3 (0.48) CTSSCTSKJAK3BTKPTPN1
SCHEMBL25255205 0.86 JAK3 (0.54) CTSSCTSKJAK3BTKPTPN1
SCHEMBL25255207 0.86 JAK3 (0.54) CTSSCTSKJAK3BTKPTPN1
SCHEMBL269021 0.86 JAK3 (0.47) CTSSCTSKJAK3BTKPTPN1
SCHEMBL269284 0.86 JAK3 (0.47) CTSSCTSKJAK3BTKPTPN1
SCHEMBL30714043 0.85 JAK3 (0.52) CTSSCTSKJAK3BTKPTPN1
SCHEMBL29194093 0.85 JAK3 (0.52) CTSSCTSKJAK3BTKPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 US disclosed
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 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 (1 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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CTSS 177/4885CTSK 286/4885JAK3 4806/4885

“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.