SCHEMBL2248047

SCHEMBL2248047

CC(C)(Cc1ccccc1)N(C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
HPGD P15428 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
LTB4R Q15722 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
SCHEMBL2250796 0.92 GABRA1 (0.43) GABRA1GABRB2SLC13A5SMN1; SMN2
SCHEMBL2252903 0.90 MAOB (0.46) HPGDSMN1; SMN2ALOX5
SCHEMBL27708319 0.90 GABRA1 (0.45) GABRA1GABRB2HPGDTAS1R3TAS1R1
SCHEMBL2246681 0.88 TSHR (0.36) GABRA1GABRB2HPGDLMNATSHR
SCHEMBL2247535 0.84 MMP12 (0.40) HPGDALDH1A1
SCHEMBL2248530 0.83 PDE4A (0.45) HPGDSMN1; SMN2
SCHEMBL2249342 0.83 MMP12 (0.43) HPGDALDH1A1
SCHEMBL2251275 0.82 MMP12 (0.40) HPGDLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL2249988 0.81 TRPM8 (0.42) TAS1R3TAS1R1
SCHEMBL2247854 0.81 MMP2 (0.39) GABRA1GABRB2

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 GABRA1 1123/4885GABRB2 454/4885HPGD 1335/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 GABRA1 1123/4885GABRB2 454/4885HPGD 1335/4885

“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.