SCHEMBL3319639

SCHEMBL3319639

COC(=O)c1ccc(OC2CCN(C(=O)[C@@H](NC(=O)[C@@H](CNC(=O)OCc3ccccc3)CC3CCCC3)C(C)(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.43
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
REN P00797 5/20 0.41
MMP1 P03956 4/20 0.41
MMP13 P45452 2/20 0.41
SRD5A1 P18405 1/20 0.40
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
CCR1 P32246 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
SCHEMBL3318363 0.96 SRD5A1 (0.46) CTSLCTSSCTSKRENMMP1
SCHEMBL3317918 0.94 MMP1 (0.45) CTSLCTSSCTSKRENMMP1
SCHEMBL3320473 0.93 CTSL (0.41) CTSLCTSSCTSKRENMMP1
SCHEMBL3323193 0.93 CTSS (0.43) CTSLCTSSCTSKRENMMP1
SCHEMBL6135862 0.87 MEN1 (0.47) CTSLCTSSCTSKMMP1MMP13
SCHEMBL3322049 0.87 CYP3A4 (0.49) CTSLCTSSCTSKSRD5A1CYP3A4
SCHEMBL3319838 0.85 SRD5A1 (0.47) CTSSMMP1MMP13SRD5A1MAPT
SCHEMBL3319845 0.85 SRD5A1 (0.47) CTSSMMP1MMP13SRD5A1MAPT
SCHEMBL13361605 0.85 MMP1 (0.40) CTSLCTSSCTSKRENMMP1
SCHEMBL3319635 0.85 MMP1 (0.40) CTSLCTSSCTSKRENMMP1

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-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
EP-1202968-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 WO disclosed
WO-2001010834-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 CTSL 355/4885CTSS 760/4885CTSK 1123/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 CTSL 330/4885CTSS 749/4885CTSK 1092/4885

“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.