SCHEMBL2248284

SCHEMBL2248284

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
FFAR1 O14842 2/20 0.49
F2RL1 P55085 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 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
HDAC8 Q9BY41 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 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
SCHEMBL2242517 0.87 FFAR1 (0.51) FFAR1F2RL1HDAC8
SCHEMBL2249530 0.85 HDAC1 (0.49) MEN1KMT2A
SCHEMBL2242394 0.85 CA12 (0.51) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2248289 0.85 SMN1; SMN2 (0.51) SMN1; SMN2HTTF2RL1PLAAT3PLAAT5
SCHEMBL2246535 0.84 KEAP1 (0.49) SMN1; SMN2FFAR1HDAC8
SCHEMBL2244465 0.83 FOLH1 (0.47) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2244983 0.83 FOLH1 (0.47) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2248684 0.83 FOLH1 (0.47) HTTFFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL4313357 0.80 SIGMAR1 (0.48) SMN1; SMN2HTTHDAC8KMT2A
Hydrochloric Acid SCHEMBL4275544 0.79 SIGMAR1 (0.47) SMN1; SMN2HTTHDAC8KMT2A

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 762/4885FFAR1 3780/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SMN1; SMN2 2624/4885HTT 762/4885FFAR1 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.