SCHEMBL2249544

SCHEMBL2249544

NC(=O)[C@H](CCC(=O)O)N(CC1C2CC3CC(C2)CC1C3)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.39
FFAR1 O14842 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
MMP2 P08253 1/20 0.34
OXTR P30559 1/20 0.33
ADAMTS4 O75173 2/20 0.32
DGAT1 O75907 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
MMP9 P14780 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL2245073 0.75 KMT2A (0.39)
SCHEMBL4356535 0.74 MMP12 (0.43) MMP12FFAR1LMNACYP1A2RAB9A
SCHEMBL2247308 0.74 TRPM8 (0.43) MMP12FFAR1LMNACYP1A2RAB9A
SCHEMBL4357426 0.74 MMP12 (0.43) MMP12FFAR1LMNACYP1A2RAB9A
SCHEMBL2246642 0.74 MMP12 (0.41) MMP12FFAR1LMNACYP1A2RAB9A
SCHEMBL5651552 0.74 TRPM8 (0.45) MMP12FFAR1LMNACYP1A2RAB9A
SCHEMBL4369489 0.73 PTGES (0.45) MMP12FFAR1LMNACYP1A2RAB9A
SCHEMBL5651545 0.73 MMP12 (0.44) MMP12FFAR1LMNACYP1A2RAB9A
SCHEMBL5654170 0.73 MMP12 (0.41) MMP12FFAR1LMNACYP1A2RAB9A
SCHEMBL4358333 0.72 PPARD (0.42) MMP12LMNACYP1A2ALDH1A1MAPT

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 5 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-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
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 MMP12 54/4885FFAR1 3780/4885LMNA 4015/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP12 54/4885FFAR1 3780/4885LMNA 4015/4885

“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.