SCHEMBL2248194

SCHEMBL2248194

COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CCC(=O)O)C(N)=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.43
FABP5 Q01469 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1H3 Q13133 1/20 0.37
TAS2R14 Q9NYV8 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
SCHEMBL2251584 0.91 PTPN1 (0.42) PTPN1FABP5L3MBTL1ALDH1A1KMT2A
SCHEMBL2247564 0.90 PTPN1 (0.42) PTPN1FABP5L3MBTL1ALDH1A1KMT2A
SCHEMBL2243995 0.89 PTPN1 (0.40) PTPN1FABP5KMT2A
SCHEMBL2249466 0.87 PTPN1 (0.41) PTPN1FABP5KMT2ATP53HTT
SCHEMBL2247270 0.87 PTPN1 (0.40) PTPN1FABP5KMT2ACHRM5CHRM1
SCHEMBL2245317 0.86 PTPN1 (0.40) PTPN1FABP5L3MBTL1ALDH1A1MAPT
SCHEMBL2251219 0.86 ALDH1A1 (0.40) PTPN1FABP5L3MBTL1ALDH1A1KMT2A
SCHEMBL2246888 0.85 PTPN1 (0.40) PTPN1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL2251948 0.85 PTPN1 (0.41) PTPN1FABP5KMT2ATP53
SCHEMBL2246132 0.84 BMP1 (0.43) PTPN1KMT2ACHRM5CHRM1CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 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 (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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 PTPN1 4403/4885FABP5 574/4885L3MBTL1 4308/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PTPN1 4403/4885FABP5 574/4885L3MBTL1 4308/4885

“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.