SCHEMBL3578207

SCHEMBL3578207

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccco2)o1)C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 2/20 0.45
CTSL P07711 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN9A Q15858 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL3577956 0.88 KDM4E (0.55) MMP2ALDH1A1SMN1; SMN2RAB9ACA12
SCHEMBL2247335 0.84 C3AR1 (0.46) MMP2
SCHEMBL3579193 0.83 ADAMTS5 (0.50) MMP2ALDH1A1HPGDKMT2AMEN1
SCHEMBL3581169 0.82 C3AR1 (0.57) MMP2ALDH1A1RAB9ANPC1HPGD
SCHEMBL3581142 0.82 MMP2 (0.47) MMP2ALDH1A1CA12CA1CA2
SCHEMBL3588641 0.82 RAB9A (0.48) MMP2ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8246744 0.81 ALDH1A1 (0.51) MMP2ALDH1A1CA12CA1CA2
SCHEMBL3581117 0.81 HPGD (0.62) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL2247341 0.77 C3AR1 (0.53) ALDH1A1CA1CA2KMT2A
SCHEMBL3579195 0.74 MEN1 (0.53) MMP2ALDH1A1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed
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 MMP2 49/4885ALDH1A1 991/4885SMN1; SMN2 2624/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885ALDH1A1 991/4885SMN1; SMN2 2624/4885

“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.