SCHEMBL2247308

SCHEMBL2247308

C[C@@H](CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H](CCC(=O)O)C(N)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.43
MMP12 P39900 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
ADAMTS4 O75173 2/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
AOC3 Q16853 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
LIMK2 P53671 2/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL2254170 0.81 SRD5A2 (0.44) TRPM8MMP12ALDH1A1MAPTRAB9A
SCHEMBL5651552 0.80 TRPM8 (0.45) TRPM8MMP12ALDH1A1MAPTHPGD
SCHEMBL4357426 0.80 MMP12 (0.43) MMP12ALDH1A1MAPTHPGDRAB9A
SCHEMBL5654170 0.79 MMP12 (0.41) TRPM8MMP12ALDH1A1MAPTHPGD
SCHEMBL4369489 0.79 PTGES (0.45) MMP12ALDH1A1MAPTHPGDRAB9A
SCHEMBL2247828 0.78 MMP12 (0.42) MMP12ALDH1A1MAPTHPGDRAB9A
SCHEMBL2246642 0.77 MMP12 (0.41) MMP12ALDH1A1MAPTHPGDRAB9A
SCHEMBL27805475 0.76 TRPM8 (0.46) TRPM8ALDH1A1MAPTHPGDLMNA
SCHEMBL5651545 0.76 MMP12 (0.44) MMP12ALDH1A1MAPTHPGDRAB9A
SCHEMBL5651081 0.76 PTGES (0.53) MMP12ADAMTS4MMP8ADAMTS5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 TRPM8 1187/4885MMP12 54/4885ALDH1A1 991/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 TRPM8 1187/4885MMP12 54/4885ALDH1A1 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.