SCHEMBL2249101

SCHEMBL2249101

COc1ccc(CCNC(=O)[C@H](CCC(=O)O)NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ADAMTS5 Q9UNA0 3/20 0.52
ADAMTS4 O75173 2/20 0.52
MAPT P10636 2/20 0.52
MMP2 P08253 2/20 0.52
MMP8 P22894 1/20 0.52
MMP12 P39900 1/20 0.52
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL2247504 0.90 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AADAMTS5ADAMTS4
SCHEMBL2247765 0.87 ADAMTS5 (0.59) ALDH1A1NPC1RAB9AADAMTS5ADAMTS4
SCHEMBL2247378 0.87 ADAMTS5 (0.59) ALDH1A1NPC1RAB9AADAMTS5ADAMTS4
SCHEMBL2245074 0.87 ADAMTS5 (0.60) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL2247911 0.86 L3MBTL1 (0.52) RAB9AADAMTS5ADAMTS4MMP2MMP8
SCHEMBL2247441 0.86 CTSS (0.52) ALDH1A1NPC1RAB9AADAMTS5ADAMTS4
SCHEMBL2246984 0.84 L3MBTL1 (0.60) ADAMTS5ADAMTS4MMP2MMP8MMP12
SCHEMBL14252956 0.83 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1HPGDALOX12GAA
SCHEMBL2248116 0.82 MMP2 (0.69) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL2247076 0.82 ADAMTS5 (0.68) NPC1RAB9AADAMTS5ADAMTS4MMP2

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-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
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 SMN1; SMN2 2624/4885ALDH1A1 991/4885HPGD 1335/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SMN1; SMN2 2624/4885ALDH1A1 991/4885HPGD 1335/4885

“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.