SCHEMBL2248289

SCHEMBL2248289

COc1ccc(CCN[C@@H](CCC(N)=O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 3/20 0.51
F2RL1 P55085 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL2242522 0.87 MMP2 (0.48) F2RL1ALDH1A1
SCHEMBL2249532 0.85 CHRM2 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL2242399 0.85 KMT2A (0.56) SMN1; SMN2KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL2248284 0.85 SMN1; SMN2 (0.51) SMN1; SMN2HTTKMT2AF2RL1PLAAT3
SCHEMBL3449139 0.84 GGT1 (0.55) KMT2APLAAT5PLAAT4MEN1
SCHEMBL2246539 0.84 GGT1 (0.55) KMT2APLAAT5PLAAT4MEN1
SCHEMBL9487676 0.83 SMN1; SMN2 (0.52) SMN1; SMN2HTTKMT2A
SCHEMBL2248685 0.83 FOLH1 (0.44) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2244468 0.83 HSD17B10 (0.47) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2244986 0.83 FOLH1 (0.44) KMT2APLAAT3PLAAT5PLAAT2PLAAT4

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 SMN1; SMN2 2624/4885HTT 762/4885KMT2A 2364/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SMN1; SMN2 2624/4885HTT 762/4885KMT2A 2364/4885

“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.