SCHEMBL4298787

SCHEMBL4298787

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NR1D1 P20393 1/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP13 P45452 2/20 0.39
MMP2 P08253 1/20 0.39
STS P08842 1/20 0.38
MMP9 P14780 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BACE1 P56817 2/20 0.37
GHSR Q92847 1/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4292244 0.90 HDAC8 (0.42) HDAC8NR1D1POLB
SCHEMBL8067784 0.89 CYP3A4 (0.44) ALDH1A1HDAC8NR1D1MMP1MMP3
SCHEMBL8061878 0.89 SRC (0.43) NR1D1
SCHEMBL5150122 0.89 MAPT (0.42) ALDH1A1DRD2CYP1A2CYP3A4CYP2C19
SCHEMBL3954880 0.84 GRIN2C (0.41) ALDH1A1NR1D1MMP1MMP3MMP7
SCHEMBL3246572 0.81 NR1H2 (0.39) MMP2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL13636363 0.81 NR1H2 (0.39) MMP2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL8064826 0.81 NR1H2 (0.39) MMP2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL10238542 0.81 NR1H2 (0.39) MMP2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3955172 0.81 HDAC8 (0.38) ALDH1A1HDAC8NR1D1MMP1MMP3

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 3 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
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 ALDH1A1 2060/4885HDAC8 1456/4885NR1D1 1663/4885

“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.