SCHEMBL20953714

SCHEMBL20953714

CC(C)(C)OC(=O)NCC[C@@H](CN=[N+]=[N-])NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.60
▸ MAPT P10636 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ CTRB1 P17538 2/20 0.43
▸ KLK7 P49862 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CTSS P25774 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40

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
SCHEMBL20364083 0.93 SYK (0.57) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL30290765 0.89 MAPT (0.60) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL18123350 0.84 SYK (0.79) SYKMAPTL3MBTL1IDO1CTRB1
SCHEMBL19057326 0.84 SYK (0.68) SYKMAPTL3MBTL1IDO1CTRB1
SCHEMBL14360855 0.84 SYK (0.68) SYKMAPTL3MBTL1IDO1CTRB1
SCHEMBL6619899 0.84 SYK (0.68) SYKMAPTL3MBTL1IDO1CTRB1
SCHEMBL14027734 0.84 MEN1 (0.44) SYKATMCTSS
SCHEMBL23961826 0.83 SYK (0.67) SYKMAPTL3MBTL1IDO1CTRB1
SCHEMBL20556459 0.83 SYK (0.67) SYKMAPTL3MBTL1IDO1CTRB1
SCHEMBL1022899 0.83 SYK (0.67) SYKMAPTL3MBTL1IDO1CTRB1

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-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 — — US disclosed
EP-3129350-B1 MACROCYCLES LUMIPHORE INC (US) 2021-10-27 — — EP disclosed
US-10273256-B2 Macrocycles LUMIPHORE, INC. (US) 2019-04-30 — — 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 (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-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 SYK 3235/4885MAPT 1131/4885L3MBTL1 3201/4885
US-10273256-B2 Macrocycles HCCS, ABCB7, AURKAIP1 SYK 3235/4885MAPT 1131/4885L3MBTL1 3201/4885

“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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