SCHEMBL22236507

SCHEMBL22236507

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 10/20 0.61
▸ CTSK P43235 9/20 0.61
▸ CTSB P07858 4/20 0.61
▸ CTSL P07711 2/20 0.61
▸ ATM Q13315 1/20 0.54
▸ AKT1 P31749 1/20 0.54
▸ BACE1 P56817 3/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA3 P07451 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA5A P35218 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CACNA1C Q13936 1/20 0.52
▸ SCN9A Q15858 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA13 Q8N1Q1 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52

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
SCHEMBL22236519 0.90 CTSS (0.63) CTSSCTSKCTSBCTSLATM
SCHEMBL3383006 0.88 CTSS (0.77) CTSSCTSKCTSBCTSLATM
SCHEMBL42634 0.88 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL9582823 0.88 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL30968897 0.88 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL13583903 0.88 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL43571 0.87 CA12 (0.70) CTSSCTSKCTSBCTSLATM
SCHEMBL8574599 0.87 CTSS (0.61) CTSSCTSKCTSBCTSLATM
SCHEMBL8574604 0.87 CTSS (0.61) CTSSCTSKCTSBCTSLATM
SCHEMBL7347593 0.87 CTSS (0.61) CTSSCTSKCTSBCTSLATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10716791-B2 Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2020-07-21 — — 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 (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 CTSS 1005/4885CTSK 896/4885CTSB 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.

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