SCHEMBL4358333

SCHEMBL4358333

NC(=O)[C@H](CCC(=O)O)N(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.42
TSHR P16473 3/20 0.41
POLB P06746 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALOX5 P09917 1/20 0.40
CYP2C19 P33261 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
CYP2D6 P10635 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
MMP12 P39900 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 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
SCHEMBL5652973 0.83 PPARD (0.49) PPARDPOLBALDH1A1MAPTRECQL
SCHEMBL4650068 0.80 KMT2A (0.51) POLBALDH1A1MAPTLMNAHPGD
SCHEMBL2246642 0.80 MMP12 (0.41) HDAC1ALOX5ALDH1A1CYP1A2MAPT
SCHEMBL4369489 0.79 PTGES (0.45) HDAC1HDAC6ALOX5ALDH1A1CYP1A2
SCHEMBL5654170 0.79 MMP12 (0.41) PPARDTSHRALDH1A1CYP1A2MAPT
SCHEMBL5653525 0.77 SRD5A2 (0.44) ALOX5MMP12MEN1KMT2A
SCHEMBL2246723 0.77 MMP12 (0.44) ALOX5MMP12
SCHEMBL5655902 0.77 MMP12 (0.43) ALOX5MMP12
SCHEMBL4359337 0.77 MMP12 (0.39) ALOX5ALDH1A1CYP1A2MAPTLMNA
SCHEMBL5651081 0.77 PTGES (0.53) ALOX5MMP12

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 PPARD 3286/4885TSHR 3570/4885POLB 3997/4885

“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.