SCHEMBL5651081

SCHEMBL5651081

CC(C)(C)c1ccc(CN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H](CCC(=O)O)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
NR1H4 Q96RI1 2/20 0.47
GCGR P47871 3/20 0.43
ADAMTS5 Q9UNA0 2/20 0.43
ADCY6 O43306 2/20 0.43
ADCY3 O60266 2/20 0.43
ADCY9 O60503 2/20 0.43
ADCY5 O95622 2/20 0.43
ADCY8 P40145 2/20 0.43
ADCY7 P51828 2/20 0.43
ADCY2 Q08462 2/20 0.43
ADCY1 Q08828 2/20 0.43
ADCY4 Q8NFM4 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP12 P39900 2/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
EPHX1 P07099 5/20 0.40
GIPR P48546 1/20 0.39

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
SCHEMBL4369489 0.88 PTGES (0.45) PTGESALOX5MMP12MMP2MMP8
SCHEMBL2246642 0.87 MMP12 (0.41) PTGESALOX5ADAMTS5MMP12MMP2
SCHEMBL5653525 0.84 SRD5A2 (0.44) PTGESALOX5MMP12
SCHEMBL4359337 0.83 MMP12 (0.39) PTGESALOX5MMP12MMP2MMP8
SCHEMBL4361259 0.82 TRPM8 (0.53) MMP12
SCHEMBL27826145 0.82 TRPM8 (0.46)
SCHEMBL4365889 0.80 PTGES (0.45) PTGESALOX5ADAMTS5ADAMTS4MMP12
SCHEMBL5653131 0.80 CYP1A2 (0.46) PTGESALOX5NPSR1
SCHEMBL2246723 0.80 MMP12 (0.44) PTGESALOX5MMP12MMP2MMP8
SCHEMBL5654170 0.80 MMP12 (0.41) ADAMTS5ADAMTS4MMP12MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1774/4885NR1H4 2797/4885

“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.