SCHEMBL2248052

SCHEMBL2248052

CC(C)(Cc1ccccc1)N[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
PRKCZ Q05513 1/20 0.39
KDM4E B2RXH2 2/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CYP19A1 P11511 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER4 P35408 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL2250802 0.92 MMP2 (0.41) TAS1R3TAS1R1ADRB2ADRB1ADRB3
SCHEMBL2252907 0.91 MAOB (0.44) EDNRAADRB2ADRB1ADRB3PRKCZ
SCHEMBL2246684 0.89 MMP2 (0.36) TAS1R3TAS1R1ADRB1ADRB3KDM4E
SCHEMBL2247537 0.84 MMP2 (0.42) ADRB1ADRB3KDM4EMMP2MMP8
SCHEMBL2248535 0.84 SMN1; SMN2 (0.45) ADRB2ADRB1ADRB3MMP2MMP8
SCHEMBL2249344 0.84 MMP2 (0.45) ADRB1ADRB3KDM4EMMP2MMP8
SCHEMBL2251277 0.83 MMP2 (0.42) ADRB1ADRB3KDM4EMMP2MMP8
SCHEMBL2245100 0.82 HPGD (0.41) KDM4EL3MBTL1MMP2MMP8MMP12
SCHEMBL2249781 0.81 MMP2 (0.39) ADRB1ADRB3KDM4EMMP2MMP8
SCHEMBL2247856 0.81 MMP2 (0.40) TAS1R3TAS1R1ADRB2ADRB1ADRB3

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 5 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
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 EDNRA 861/4885TAS1R3 1826/4885TAS1R1 1668/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 EDNRA 861/4885TAS1R3 1826/4885TAS1R1 1668/4885

“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.