SCHEMBL3588641

SCHEMBL3588641

O=C(O)CC[C@H](NC(=O)c1ccc(-c2cccs2)o1)C(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 4/20 0.44
MMP2 P08253 2/20 0.44
MMP10 P09238 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 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 0.86 KDM4E (0.55) RAB9ANPSR1ALDH1A1KDM4EHPGD
SCHEMBL2244822 0.84 KDM4E (0.50) RAB9ANPC1NPSR1ALDH1A1KDM4E
SCHEMBL3582721 0.82 HPGDS (0.61) MMP2MMP10MMP9MMP8MMP12
SCHEMBL3578207 0.82 MMP2 (0.46) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL3585812 0.80 PADI6 (0.52) MMP2MMP10MMP9MMP8MMP12
SCHEMBL3581142 0.80 MMP2 (0.47) ALDH1A1KDM4EHPGDLMNAMMP2
SCHEMBL8246744 0.80 ALDH1A1 (0.51) NPSR1ALDH1A1HPGDLMNAMMP2
SCHEMBL3581117 0.80 HPGD (0.62) RAB9ANPC1NPSR1ALDH1A1HPGD
SCHEMBL2244829 0.78 S1PR4 (0.48) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2248084 0.77 HPGDS (0.57) MMP2MMP10MMP9MMP8MMP12

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 RAB9A 3609/4885NPC1 3103/4885NPSR1 440/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 RAB9A 3609/4885NPC1 3103/4885NPSR1 440/4885

“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.