SCHEMBL2246565

SCHEMBL2246565

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.56
MEP1B Q16820 4/20 0.54
MMP2 P08253 2/20 0.49
HPGDS O60760 1/20 0.44
MMP12 P39900 2/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL2251929 0.84 MEP1B (0.52) FOLH1MEP1BMMP2HPGDSMMP12
SCHEMBL2246569 0.84 FOLH1 (0.53) FOLH1MEP1BMMP2CYP1A2CYP2D6
SCHEMBL2247649 0.84 FOLH1 (0.56) FOLH1MEP1BHPGDS
SCHEMBL2249535 0.84 MEP1B (0.54) MEP1BMMP2HPGDSMMP12MMP8
SCHEMBL2252834 0.83 FOLH1 (0.52) FOLH1MEP1BMMP2HPGDSMMP12
SCHEMBL2250379 0.81 FFAR1 (0.54) MEP1B
SCHEMBL2248272 0.81 MEN1 (0.51) MEP1BMMP13CYP1A2
SCHEMBL2247043 0.80 CYP2D6 (0.54) MEP1BCYP2D6CYP2C19
SCHEMBL2245669 0.78 MAPK14 (0.49) MEP1B
SCHEMBL2242288 0.77 FFAR1 (0.51) FOLH1MEP1BMMP2

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 2803/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FOLH1 17/4885MEP1B 2803/4885MMP2 49/4885

“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.