SCHEMBL9582823

SCHEMBL9582823

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.62
▸ CTSK P43235 10/20 0.62
▸ CTSB P07858 4/20 0.62
▸ CTSL P07711 2/20 0.62
▸ ATM Q13315 1/20 0.55
▸ MMP8 P22894 1/20 0.55
▸ AKT1 P31749 1/20 0.55
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA3 P07451 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA6 P23280 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CACNA1C Q13936 1/20 0.53
▸ SCN9A Q15858 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA13 Q8N1Q1 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53

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
SCHEMBL42634 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL13583903 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL30968897 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLATM
SCHEMBL992881 0.90 PSMB1 (0.58) CTSSCTSKCTSBCTSLPPARA
SCHEMBL18546494 0.90 CTSK (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL18546605 0.90 CTSK (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL25884513 0.90 CTSK (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL3383006 0.90 CTSS (0.77) CTSSCTSKCTSBCTSLATM
SCHEMBL43571 0.88 CA12 (0.70) CTSSCTSKCTSBCTSLATM
SCHEMBL22236507 0.88 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919840-B2 Diamine crosslinking agents, crosslinked acidic polysaccharides and medical materials SEIKAGAKU CORPORATION (JP) 2021-02-16 — — US disclosed
EP-3101064-B1 DIAMINE CROSSLINKING AGENT, ACIDIC POLYSACCHARIDE CROSSLINKED BODY, AND MEDICAL MATERIAL SEIKAGAKU KOGYO CO LTD (JP) 2020-07-15 — — EP disclosed
US-20190345312-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SEIKAGAKU CORPORATION (JP) 2019-11-14 — — US disclosed
US-20170001948-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SEIKAGAKU CORPORATION (JP) 2017-01-05 — — US disclosed
US-5191079-A Chemical intermediates for bactericides KANEBO, LTD. (JP) 1993-03-02 — — US disclosed
US-5166203-A QUINOLINECARBOXYLIC ACID DERIVATIVES, ANTIBACTERIAL AGENT CONTAINING THE SAME KANEBO, LTD. (JP) 1992-11-24 — — US disclosed
EP-0472826-A2 Novel quinolinecarboxylic acid derivatives, use thereof, antibacterial agent containing the same, process for preparing said compounds and intermediate compound KANEBO LTD. (JP) 1992-03-04 — — 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 (2 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-20170001948-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SAT1, ACMSD, ADM2 CTSS 4147/4885CTSK 4211/4885CTSB 4284/4885
US-10919840-B2 Diamine crosslinking agents, crosslinked acidic polysaccharides and medical materials SAT1, ACMSD, ADM2 CTSS 4147/4885CTSK 4211/4885CTSB 4284/4885

“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.

Send feedback