SCHEMBL4369489

SCHEMBL4369489

Cc1ccc(CN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H](CCC(=O)O)C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
MMP12 P39900 2/20 0.41
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
FFAR1 O14842 2/20 0.39
UTS2R Q9UKP6 2/20 0.39
LIMK2 P53671 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MME P08473 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
SCHEMBL2246642 0.90 MMP12 (0.41) PTGESALOX5MMP12MMP2MMP8
SCHEMBL5651081 0.88 PTGES (0.53) PTGESALOX5MMP12MMP2MMP8
SCHEMBL5653525 0.87 SRD5A2 (0.44) PTGESALOX5MMP12MMP13FFAR1
SCHEMBL4359337 0.86 MMP12 (0.39) PTGESALOX5MMP12MMP2MMP8
SCHEMBL27826145 0.84 TRPM8 (0.46) HDAC1HDAC6MEN1KMT2A
SCHEMBL5654170 0.84 MMP12 (0.41) MMP12MMP2MMP8MMP13ALDH1A1
SCHEMBL2247819 0.83 HSD17B2 (0.42) MMP12MMP2MMP8MMP13ALDH1A1
SCHEMBL4365889 0.83 PTGES (0.45) PTGESALOX5MMP12MMP2RAB9A
SCHEMBL5653131 0.83 CYP1A2 (0.46) PTGESALOX5MAPTFFAR1LMNA
SCHEMBL2246723 0.83 MMP12 (0.44) PTGESALOX5MMP12MMP2MMP8

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 1774/4885MMP12 54/4885

“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.