SCHEMBL2247763

SCHEMBL2247763

COc1cccc(-c2ccc(C(=O)N([C@@H](CCC(N)=O)C(=O)O)C(C)(C)Cc3ccccc3)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 18/20 0.57
HSD17B1 P14061 12/20 0.50
HDAC6 Q9UBN7 1/20 0.44
MCHR1 Q99705 1/20 0.40

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
SCHEMBL2247112 0.94 HSD17B2 (0.49) HSD17B2HSD17B1HDAC6MCHR1
SCHEMBL2254228 0.94 HSD17B2 (0.49) HSD17B2HSD17B1HDAC6MCHR1
SCHEMBL2247439 0.92 HSD17B2 (0.43) HSD17B2HSD17B1HDAC6
SCHEMBL2247405 0.87 ACKR3 (0.42) HSD17B2HSD17B1HDAC6
SCHEMBL2244955 0.86 HSD17B2 (0.45) HSD17B2HSD17B1
SCHEMBL27708405 0.86 IKBKB (0.41) HSD17B2HSD17B1MCHR1
SCHEMBL2247408 0.86 ACKR3 (0.41) HSD17B2HSD17B1HDAC6
SCHEMBL2249788 0.86 IKBKB (0.39) HSD17B2HSD17B1
SCHEMBL2244933 0.85 HSD17B2 (0.51) HSD17B2
SCHEMBL2243888 0.84 MKNK1 (0.43) HSD17B2HSD17B1HDAC6

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 HSD17B2 2502/4885HSD17B1 2139/4885HDAC6 139/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD17B2 2502/4885HSD17B1 2139/4885HDAC6 139/4885

“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.