SCHEMBL18546605

SCHEMBL18546605

CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.64
CTSS P25774 9/20 0.64
CTSB P07858 3/20 0.60
CTSL P07711 1/20 0.60
ATM Q13315 1/20 0.53
AKT1 P31749 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CACNA1C Q13936 1/20 0.51
SCN9A Q15858 1/20 0.51
CA9 Q16790 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51

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
SCHEMBL18546494 1.00 CTSK (0.64) CTSKCTSSCTSBCTSLATM
SCHEMBL25884513 1.00 CTSK (0.64) CTSKCTSSCTSBCTSLATM
SCHEMBL17133745 0.92 CTSK (0.64) CTSKCTSSCTSBCTSLATM
SCHEMBL17146997 0.92 CTSK (0.64) CTSKCTSSCTSBCTSLATM
SCHEMBL22236516 0.90 CTSK (0.68) CTSKCTSSCTSBCTSLATM
SCHEMBL42634 0.90 CTSS (0.62) CTSKCTSSCTSBCTSLATM
SCHEMBL13583903 0.90 CTSS (0.62) CTSKCTSSCTSBCTSLATM
SCHEMBL30968897 0.90 CTSS (0.62) CTSKCTSSCTSBCTSLATM
SCHEMBL9582823 0.90 CTSS (0.62) CTSKCTSSCTSBCTSLATM
SCHEMBL23218022 0.89 CTSS (0.63) CTSKCTSSCTSBCTSLATM

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
EP-4198029-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF University Health Network (CA) 2023-06-21 EP disclosed
US-10716791-B2 Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2020-07-21 US disclosed
WO-2017027967-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2017-02-23 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-10716791-B2 Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof PADI2, PADI1, PADI4 CTSK 896/4885CTSS 1005/4885CTSB 546/4885

“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.