SCHEMBL13333366

SCHEMBL13333366

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ATM Q13315 1/20 0.42
REN P00797 4/20 0.41
SYK P43405 1/20 0.40
USP2 O75604 1/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 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
SCHEMBL7045270 1.00 CACNA1B (0.43) CACNA1BCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL7045269 0.91 SLC15A1 (0.45) CACNA1BCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL7045267 0.91 SLC15A1 (0.45) CACNA1BCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL5488362 0.87 MMP1 (0.49) CTSLCTSBCTSSCTSK
SCHEMBL5488364 0.87 MMP1 (0.49) CTSLCTSBCTSSCTSK
SCHEMBL3323188 0.84 MMP2 (0.54) CYP3A4CYP2C9CYP2C19CTSLCTSB
SCHEMBL3323186 0.84 MMP2 (0.54) CYP3A4CYP2C9CYP2C19CTSLCTSB
SCHEMBL1628776 0.83 MMP2 (0.53) CYP3A4CYP2C9CYP2C19CTSLCTSB
SCHEMBL28638619 0.81 SYK (0.45) SYKUSP2
SCHEMBL7280308 0.81 SLC15A1 (0.49) CYP3A4CYP2C9CYP2C19ATMSYK

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-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

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-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 CACNA1B 3984/4885CYP3A4 1204/4885CYP2C9 1009/4885

“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.