SCHEMBL2245703

SCHEMBL2245703

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.57
ADAMTS4 O75173 1/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP12 P39900 3/20 0.52
MMP2 P08253 2/20 0.52
MMP8 P22894 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
SMYD3 Q9H7B4 1/20 0.49
MAPK14 Q16539 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48

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
SCHEMBL2245220 1.00 ADAMTS5 (0.57) ADAMTS5ADAMTS4MEN1KMT2ANPC1
SCHEMBL2244951 0.99 ADAMTS5 (0.58) ADAMTS5ADAMTS4MEN1KMT2ANPC1
SCHEMBL2246450 0.94 ADAMTS5 (0.61) ADAMTS5ADAMTS4MEN1KMT2ANPC1
SCHEMBL9358206 0.82 NPC1 (0.61) NPC1RAB9A
SCHEMBL9358196 0.82 NPC1 (0.61) NPC1RAB9A
SCHEMBL2248728 0.80 ADAMTS5 (0.68) ADAMTS5ADAMTS4NPC1RAB9ASMN1; SMN2
SCHEMBL5902895 0.80 ALDH1A1 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2248309 0.80 ADAMTS5 (0.58) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2247807 0.79 ADAMTS5 (0.57) ADAMTS5ADAMTS4MEN1KMT2ANPC1
SCHEMBL2252322 0.78 CA2 (0.66) ADAMTS5ADAMTS4NPC1RAB9AMMP12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ADAMTS5 1/4885ADAMTS4 5/4885MEN1 2734/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885ADAMTS4 5/4885MEN1 2734/4885

“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.