SCHEMBL8067784

SCHEMBL8067784

COc1ccc(OC[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
NR1D1 P20393 1/20 0.40
STS P08842 1/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
MMP13 P45452 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.36
HTT P42858 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL4298787 0.89 ALDH1A1 (0.41) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL8059684 0.89 CYP1A2 (0.43) CYP3A4CYP1A2POLBCYP2C19HDAC8
SCHEMBL8059551 0.89 CYP1A2 (0.45) CYP3A4CYP1A2POLBCYP2C19HDAC8
SCHEMBL6543115 0.89 CYP1A2 (0.44) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL5155194 0.89 CYP1A2 (0.44) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL4446456 0.87 POLB (0.42) CYP3A4CYP1A2POLBCYP2C19HDAC8
SCHEMBL4446450 0.87 POLB (0.42) CYP3A4CYP1A2POLBCYP2C19HDAC8
SCHEMBL4301223 0.84 NR1D1 (0.41) POLBALDH1A1NR1D1MAPTSMN1; SMN2
SCHEMBL3955172 0.82 HDAC8 (0.38) ALDH1A1HDAC8NR1D1STSMMP1
SCHEMBL1722643 0.81 CYP1A2 (0.44) CYP3A4CYP1A2POLBCYP2C19AR

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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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 (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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF CYP3A4 2004/4885CYP1A2 974/4885POLB 690/4885

“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.