SCHEMBL2246904

SCHEMBL2246904

COc1cccc(-c2ccc(C(=O)N([C@@H](CCC(N)=O)C(=O)O)C(C)(C)Cc3ccc(F)cc3)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
ROCK2 O75116 2/20 0.39
PRKG1 Q13976 2/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
AKT1 P31749 1/20 0.39
HPGDS O60760 2/20 0.39
VNN1 O95497 1/20 0.38
ADORA2A P29274 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MLNR O43193 3/20 0.35
CSNK2A1 P68400 1/20 0.35
PTGDR Q13258 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM1A O60341 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
SCHEMBL2251472 0.90 MLNR (0.39) HPGDSMLNR
SCHEMBL2247786 0.89 HSD17B2 (0.46) TPH1TPH2HSD17B2
SCHEMBL2254233 0.84 HPGDS (0.41) HPGDS
SCHEMBL2244933 0.82 HSD17B2 (0.51) MAPTTRPV1KDM4EALDH1A1TPH1
SCHEMBL2254228 0.82 HSD17B2 (0.49) HSD17B2
SCHEMBL2252747 0.81 LDHA (0.37) HPGDS
SCHEMBL2244683 0.79 SPHK2 (0.43) HSD17B2
SCHEMBL2248091 0.78 HSD17B2 (0.41) KDM4EALDH1A1HPGDHSD17B2
SCHEMBL2245312 0.78 HSD17B1 (0.43) HPGDSHSD17B2
SCHEMBL2245193 0.77 MMP2 (0.43) MAPTTP53KDM4EALDH1A1HPGD

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 7 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-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 MAPT 1544/4885TP53 4136/4885ROCK2 3155/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MAPT 1544/4885TP53 4136/4885ROCK2 3155/4885

“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.