SCHEMBL2245669

SCHEMBL2245669

NC(=O)[C@H](CCC(=O)O)NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.49
MEP1B Q16820 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
EPHX1 P07099 1/20 0.46
MME P08473 1/20 0.45
FFAR1 O14842 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
SCN9A Q15858 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
PTPN1 P18031 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42

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
SCHEMBL2245674 0.86 MAPK14 (0.49) MAPK14MEP1BTRPM8KDM5AKDM4C
SCHEMBL2252889 0.86 EPHX1 (0.46) EPHX1FFAR1SCN9AFFAR4PTPN1
SCHEMBL2248272 0.85 MEN1 (0.51) MEP1B
SCHEMBL2250379 0.82 FFAR1 (0.54) MEP1BTRPM8EPHX1FFAR1FFAR4
SCHEMBL2247649 0.81 FOLH1 (0.56) MEP1BFFAR1SCN9A
SCHEMBL2251929 0.79 MEP1B (0.52) MEP1BFFAR1FFAR4
SCHEMBL2246565 0.78 FOLH1 (0.56) MEP1B
SCHEMBL2249535 0.78 MEP1B (0.54) MEP1BFFAR1FFAR4
Trifluoroacetic Acid SCHEMBL30882718 0.76 TRPM8 (0.49) MAPK14TRPM8EPHX1FFAR1SCN9A
SCHEMBL2251538 0.76 FFAR1 (0.52) MAPK14FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK14 4082/4885MEP1B 2803/4885TRPM8 1187/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MAPK14 4082/4885MEP1B 2803/4885TRPM8 1187/4885

“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.