SCHEMBL6780588

SCHEMBL6780588

CC(=O)Oc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.54
CTSK P43235 2/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
PPARA Q07869 2/20 0.53
BCL2 P10415 1/20 0.52
ACE P12821 1/20 0.52
PPARG P37231 1/20 0.51
KLK5 Q9Y337 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PTPN1 P18031 3/20 0.51
TACR1 P25103 2/20 0.50
EPHX2 P34913 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL85543 0.90 CTSS (0.64) CTSSCTSKCTSLCTSBPPARA
SCHEMBL22404737 0.90 CTSS (0.64) CTSSCTSKCTSLCTSBPPARA
SCHEMBL3355326 0.90 CTSS (0.64) CTSSCTSKCTSLCTSBPPARA
SCHEMBL6438287 0.89 CACNA1B (0.60) CTSSCTSKCTSLCTSBPPARA
SCHEMBL9752771 0.89 BCL2 (0.64) CTSSCTSKCTSLCTSBPPARA
SCHEMBL9752770 0.89 BCL2 (0.64) CTSSCTSKCTSLCTSBPPARA
SCHEMBL7292396 0.89 CACNA1B (0.60) CTSSCTSKCTSLCTSBPPARA
SCHEMBL9240969 0.89 CACNA1B (0.60) CTSSCTSKCTSLCTSBPPARA
SCHEMBL7523637 0.89 BCL2 (0.64) CTSSCTSKCTSLCTSBPPARA
SCHEMBL7409389 0.88 CTSS (0.65) CTSSCTSKCTSLCTSBPPARA

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-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response THE PROCTER & GAMBLE COMPANY 2004-01-08 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-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response MPO, SERPINB1, NCF1 CTSS 144/4885CTSK 210/4885CTSL 387/4885

“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.