SCHEMBL2247306

SCHEMBL2247306

COc1cc(OC)cc(OCc2ccc(-c3ccc(C(=O)OC(=O)[C@H](CCC(N)=O)NCc4cccc(C)c4)cc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
SMPD1 P17405 1/20 0.38
SPHK2 Q9NRA0 2/20 0.37
HSD17B2 P37059 1/20 0.37
FFAR1 O14842 3/20 0.36
THRB P10828 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2249304 0.96 MAOB (0.40) MAOBHSD17B2FFAR1MAPT
SCHEMBL2242484 0.86 MAOB (0.41) MAOBHSD17B2FFAR1
SCHEMBL2247824 0.86 POLB (0.37) FFAR1MAPT
SCHEMBL2251017 0.85 MRGPRX4 (0.41) MAOBFFAR1
SCHEMBL2244761 0.84 F2 (0.38) HSD17B2FFAR1ADAMTS4MAPT
SCHEMBL4365892 0.83 KDM4E (0.42) SMPD1
SCHEMBL2247351 0.83 CYP4F2 (0.38) HSD17B2FFAR1
SCHEMBL2244873 0.81 NPC1 (0.41) MAPT
SCHEMBL2247822 0.81 ABCB1 (0.39) MAOBSMPD1HSD17B2FFAR1THRB
SCHEMBL2253178 0.80 KMT2A (0.40) MAOBSMPD1MAPT

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 MAOB 2020/4885SMPD1 327/4885SPHK2 3644/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MAOB 2020/4885SMPD1 327/4885SPHK2 3644/4885

“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.