SCHEMBL4362591

SCHEMBL4362591

NC(=O)[C@H](CCC(=O)O)N(Cc1cccc(-c2cccs2)c1)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
MMP12 P39900 4/20 0.47
PSMB5 P28074 2/20 0.46
FFAR1 O14842 1/20 0.44
MMP2 P08253 3/20 0.43
MMP8 P22894 3/20 0.43
MMP13 P45452 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.42
CHRM4 P08173 1/20 0.41
MMP10 P09238 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
CETP P11597 1/20 0.38

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
SCHEMBL5650668 0.91 HPGDS (0.45) HPGDSMMP12PSMB5FFAR1MMP2
SCHEMBL4361259 0.86 TRPM8 (0.53) HPGDSMMP12FFAR1TRPM8
SCHEMBL2246723 0.85 MMP12 (0.44) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL5655902 0.84 MMP12 (0.43) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL4370875 0.83 MMP12 (0.41) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL5650478 0.80 TRPM8 (0.50) HPGDSMMP12MMP2MMP8MMP13
SCHEMBL2244759 0.80 HSD17B2 (0.45) MMP12TRPM8
SCHEMBL2247349 0.80 HSD17B2 (0.45) MMP12FFAR1TRPM8
SCHEMBL2246642 0.79 MMP12 (0.41) MMP12FFAR1MMP2MMP8MMP13
SCHEMBL27826145 0.79 TRPM8 (0.46) TRPM8HDAC1HDAC3PPARG

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-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 (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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HPGDS 1417/4885MMP12 54/4885PSMB5 2033/4885

“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.