SCHEMBL4217387

SCHEMBL4217387

CC(C)(C)OC(=O)NC(Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)C(=O)NNC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.51
▸ CTSK P43235 6/20 0.51
▸ BCL2 P10415 1/20 0.49
▸ PLG P00747 4/20 0.48
▸ CTSL P07711 3/20 0.48
▸ CTSB P07858 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.47
▸ TACR1 P25103 1/20 0.47
▸ P2RX7 Q99572 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ PTPN1 P18031 1/20 0.44

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
SCHEMBL4217382 1.00 CTSS (0.51) CTSSCTSKBCL2PLGCTSL
SCHEMBL4226503 0.93 PLG (0.47) CTSSCTSKBCL2PLGCTSL
SCHEMBL7057456 0.89 PTPN1 (0.54) CTSSCTSKBCL2PLGCTSL
SCHEMBL29400153 0.89 PTPN1 (0.54) CTSSCTSKBCL2PLGCTSL
SCHEMBL11652135 0.89 PTPN1 (0.54) CTSSCTSKBCL2PLGCTSL
SCHEMBL9646827 0.89 PTPN1 (0.54) CTSSCTSKBCL2PLGCTSL
SCHEMBL29397682 0.89 PTPN1 (0.54) CTSSCTSKBCL2PLGCTSL
SCHEMBL14431014 0.88 PLG (0.47) CTSSCTSKPLGCTSLCTSB
SCHEMBL4221013 0.87 PLG (0.47) CTSSCTSKBCL2PLGCTSL
SCHEMBL4221018 0.87 PLG (0.47) CTSSCTSKBCL2PLGCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 — — US disclosed
EP-1826199-A1 Modified amino acids Technische Universität Wien (AT) 2007-08-29 — — 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 (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-20090105091-A1 Modified Amino Acids SLC1A2, NR1H4, OXGR1 CTSS 4519/4885CTSK 4083/4885BCL2 4671/4885

“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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