SCHEMBL2248684

SCHEMBL2248684

NC(=O)[C@H](CCC(=O)O)NCCc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.47
FFAR1 O14842 1/20 0.46
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
HPGD P15428 1/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
HAT1 O14929 1/20 0.42
EP300 Q09472 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
SCHEMBL2246535 0.87 KEAP1 (0.49) FOLH1FFAR1MMP2MMP8MMP12
SCHEMBL2244465 0.86 FOLH1 (0.47) FOLH1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL2244983 0.86 FOLH1 (0.47) FOLH1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL2247506 0.86 FOLH1 (0.52) FOLH1FFAR1MMP2MMP8MMP12
SCHEMBL2248685 0.83 FOLH1 (0.44) FOLH1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2248284 0.83 SMN1; SMN2 (0.51) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2248515 0.79 GGT1 (0.56) FOLH1MMP2MMP8MMP12MMP13
SCHEMBL2247541 0.78 FOLH1 (0.46) FOLH1MMP2MMP8MMP12MMP13
SCHEMBL2242394 0.78 CA12 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL2246498 0.78 LMNA (0.52) FOLH1HPGDMMP2MMP8MMP12

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 6 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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 17/4885FFAR1 3780/4885PLAAT3 249/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FOLH1 17/4885FFAR1 3780/4885PLAAT3 249/4885

“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.