SCHEMBL5454777

SCHEMBL5454777

CO[C@H]1CC[C@@H](COS(=O)(=O)c2ccc(C)cc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.42
HSD11B1 P28845 1/20 0.41
GPR119 Q8TDV5 8/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
STS P08842 3/20 0.37
P2RX7 Q99572 2/20 0.36
CYP2D6 P10635 1/20 0.36
TP53 P04637 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL30586531 0.91 MMP13 (0.46) MMP13HSD11B1GPR119KMT2AMEN1
SCHEMBL26361860 0.86 MMP13 (0.45) MMP13HSD11B1GPR119KMT2AMEN1
SCHEMBL26907154 0.86 MMP13 (0.43) MMP13HSD11B1GPR119KMT2AMEN1
SCHEMBL323498 0.86 MMP13 (0.43) MMP13HSD11B1GPR119KMT2AMEN1
SCHEMBL11995208 0.86 MMP13 (0.43) MMP13HSD11B1GPR119KMT2AMEN1
SCHEMBL26143890 0.83 MMP13 (0.43) MMP13HSD11B1GPR119KMT2AMEN1
SCHEMBL23265404 0.81 MMP13 (0.44) MMP13HSD11B1GPR119KMT2AMEN1
SCHEMBL345693 0.79 GPR119 (0.44) MMP13HSD11B1GPR119KMT2AMEN1
SCHEMBL2186144 0.79 GPR119 (0.44) MMP13HSD11B1GPR119KMT2AMEN1
SCHEMBL345694 0.79 GPR119 (0.44) MMP13HSD11B1GPR119KMT2AMEN1

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-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 MMP13 558/4885HSD11B1 283/4885GPR119 2151/4885

“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.