SCHEMBL3323188

SCHEMBL3323188

O=C(O)C[C@@H](CC1CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP12 P39900 1/20 0.54
▸ MMP1 P03956 5/20 0.47
▸ MMP3 P08254 4/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ CPA1 P15085 2/20 0.43
▸ CPB1 P15086 1/20 0.43
▸ CPA3 P15088 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ FCER2 P06734 1/20 0.42

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
SCHEMBL3323186 1.00 MMP2 (0.54) MMP2MMP9MMP12MMP1MMP3
SCHEMBL1628776 0.99 MMP2 (0.53) MMP2MMP9MMP12MMP1MMP3
SCHEMBL13333366 0.84 CACNA1B (0.43) CYP3A4CYP2C9CYP2C19ATMCTSL
SCHEMBL7045270 0.84 CACNA1B (0.43) CYP3A4CYP2C9CYP2C19ATMCTSL
SCHEMBL1629694 0.84 CYP3A4 (0.47) MMP2MMP9MMP12MMP1MMP3
SCHEMBL27858541 0.83 CYP3A4 (0.46) MMP2MMP9MMP12MMP1MMP3
SCHEMBL390825 0.83 ATM (0.46) CYP3A4CYP2C9CYP2C19ATMCTSL
SCHEMBL390824 0.83 ATM (0.46) CYP3A4CYP2C9CYP2C19ATMCTSL
SCHEMBL19192088 0.83 ATM (0.46) MMP2MMP9MMP12MMP1MMP3
SCHEMBL2571746 0.82 CPA1 (0.56) CASP1CPA1CPB1CPA3CPB2

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 9 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-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-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 MMP2 1540/4885MMP9 3879/4885MMP12 3889/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 MMP2 1579/4885MMP9 3950/4885MMP12 3855/4885

“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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