SCHEMBL4365889

SCHEMBL4365889

COc1cc(CN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H](CCC(=O)O)C(N)=O)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
HSD17B2 P37059 2/20 0.44
LPAR1 Q92633 3/20 0.42
TACR1 P25103 1/20 0.41
MMP12 P39900 2/20 0.40
TRPM8 Q7Z2W7 3/20 0.40
ATM Q13315 1/20 0.39
RXRA P19793 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL2251692 0.88 ADAMTS4 (0.47) LPAR1MMP12MMP2ADAMTS4ADAMTS5
SCHEMBL2251182 0.85 POLB (0.46) ADAMTS4ADAMTS5
SCHEMBL2252342 0.85 HSD17B2 (0.48) PTGESALOX5HSD17B2ADAMTS4ADAMTS5
SCHEMBL2247817 0.85 HSD17B2 (0.42) PTGESALOX5HSD17B2ADAMTS4ADAMTS5
SCHEMBL2253174 0.85 POLB (0.41) NPC1ADAMTS4ADAMTS5
SCHEMBL2249301 0.83 HSD17B2 (0.48) PTGESALOX5HSD17B2NPC1RAB9A
SCHEMBL5653525 0.83 SRD5A2 (0.44) PTGESALOX5LPAR1MMP12
SCHEMBL4369489 0.83 PTGES (0.45) PTGESALOX5MMP12MMP2RAB9A
SCHEMBL2247300 0.83 HSD17B2 (0.45) PTGESALOX5HSD17B2LPAR1NPC1
SCHEMBL2246642 0.82 MMP12 (0.41) PTGESALOX5MMP12MMP2RAB9A

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 PTGES 1681/4885ALOX5 1774/4885HSD17B2 2502/4885

“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.