SCHEMBL3590221

SCHEMBL3590221

O=C(O)CC[C@H](NC(=O)C1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.56
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN9A Q15858 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MMP8 P22894 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
MMP1 P03956 3/20 0.42
FCER2 P06734 3/20 0.42

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
SCHEMBL2246238 0.90 MCHR1 (0.47) MCHR1FOLH1MMP2HDAC3HDAC8
SCHEMBL2248300 0.86 MMP2 (0.57) MCHR1MMP2
SCHEMBL2247584 0.85 MCHR1 (0.43) MCHR1
SCHEMBL3576902 0.83 KMT2A (0.54)
SCHEMBL2252635 0.82 KMT2A (0.47) MCHR1FOLH1HDAC3HDAC8HDAC6
SCHEMBL2243798 0.81 HDAC3 (0.46) MCHR1CA12CA1CA9MMP8
SCHEMBL4621604 0.79 NPC1 (0.44) LMNA
SCHEMBL2247325 0.78 ADAMTS5 (0.61) MCHR1MMP8MMP2HDAC3HDAC4
SCHEMBL6649484 0.77 LMNA (0.69) LMNAHDAC3HDAC4HDAC7HDAC8
SCHEMBL12156602 0.77 PTPN1 (0.54)

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-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
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 MCHR1 2836/4885LMNA 4015/4885CA12 241/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MCHR1 2836/4885LMNA 4015/4885CA12 241/4885

“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.