SCHEMBL4364946

SCHEMBL4364946

NC(=O)[C@H](CCC(=O)O)N(CCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CASR P41180 3/20 0.42
HRH3 Q9Y5N1 1/20 0.40
MMP12 P39900 1/20 0.40
TSHR P16473 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 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
SCHEMBL4357426 0.77 MMP12 (0.43) HPGDALDH1A1MAPTKMT2AMMP12
SCHEMBL5651545 0.76 MMP12 (0.44) HPGDALDH1A1MAPTMMP12
SCHEMBL2247828 0.75 MMP12 (0.42) HPGDALDH1A1MAPTMMP12
SCHEMBL2247308 0.75 TRPM8 (0.43) HPGDALDH1A1MAPTMMP12
SCHEMBL4358333 0.73 PPARD (0.42) HPGDALDH1A1MAPTKMT2AMMP12
SCHEMBL2246642 0.72 MMP12 (0.41) HPGDALDH1A1MAPTMMP12
SCHEMBL4363950 0.72 MMP12 (0.42) ALDH1A1KMT2AMMP12
SCHEMBL4369489 0.72 PTGES (0.45) HPGDALDH1A1MAPTKMT2AMMP12
SCHEMBL5654170 0.72 MMP12 (0.41) HPGDALDH1A1MAPTKMT2AMMP12
SCHEMBL2249544 0.71 MMP12 (0.39) HPGDALDH1A1MAPTMMP12

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 CD274 2367/4885HPGD 1335/4885ALDH1A1 991/4885

“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.