SCHEMBL2247649

SCHEMBL2247649

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.56
MEP1B Q16820 2/20 0.54
FFAR1 O14842 1/20 0.51
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
SCN9A Q15858 1/20 0.47
SRC P12931 1/20 0.45
HPGDS O60760 1/20 0.44
SLC1A1 P43005 1/20 0.43

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
SCHEMBL2245581 0.86 MEP1B (0.43) FOLH1MEP1BHPGDS
SCHEMBL2251929 0.84 MEP1B (0.52) FOLH1MEP1BFFAR1HPGDS
SCHEMBL2247653 0.84 FOLH1 (0.53) FOLH1MEP1BFFAR1MAOBMAOA
SCHEMBL2246565 0.84 FOLH1 (0.56) FOLH1MEP1BHPGDS
SCHEMBL2249535 0.84 MEP1B (0.54) MEP1BFFAR1HPGDS
SCHEMBL2250379 0.84 FFAR1 (0.54) MEP1BFFAR1
SCHEMBL2247506 0.83 FOLH1 (0.52) FOLH1MEP1BFFAR1
SCHEMBL2246394 0.83 MEP1B (0.46) FOLH1MEP1BHPGDS
SCHEMBL2248272 0.81 MEN1 (0.51) MEP1BMAOBMAOA
SCHEMBL2245669 0.81 MAPK14 (0.49) MEP1BFFAR1SCN9A

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 FOLH1 17/4885MEP1B 2803/4885FFAR1 3780/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FOLH1 17/4885MEP1B 2803/4885FFAR1 3780/4885

“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.