SCHEMBL2249304

SCHEMBL2249304

COc1cc(OC)cc(OCc2cccc(-c3ccc(C(=O)OC(=O)[C@H](CCC(N)=O)NCc4cccc(C)c4)cc3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
FFAR1 O14842 6/20 0.40
HSD17B2 P37059 1/20 0.38
PPARD Q03181 2/20 0.37
CASR P41180 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
F2 P00734 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2247306 0.96 MAOB (0.39) MAOBFFAR1HSD17B2MAPT
SCHEMBL2242484 0.90 MAOB (0.41) MAOBFFAR1HSD17B2NR1H4F2
SCHEMBL2251017 0.89 MRGPRX4 (0.41) MAOBFFAR1CASR
SCHEMBL2244761 0.86 F2 (0.38) FFAR1HSD17B2LMNAKDM4EALDH1A1
SCHEMBL2247351 0.86 CYP4F2 (0.38) FFAR1HSD17B2LMNAKDM4EALDH1A1
SCHEMBL2247824 0.84 POLB (0.37) FFAR1LMNARAB9AKDM4EALDH1A1
SCHEMBL4365892 0.83 KDM4E (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2254265 0.82 ABCB1 (0.40) FFAR1HSD17B2PPARD
SCHEMBL2247822 0.82 ABCB1 (0.39) MAOBFFAR1HSD17B2POLBMAPT
SCHEMBL2247773 0.81 ABCB1 (0.41) MAOBNPC1LMNARAB9ASMN1; SMN2

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 2020/4885FFAR1 3780/4885HSD17B2 2502/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MAOB 2020/4885FFAR1 3780/4885HSD17B2 2502/4885

“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.