SCHEMBL2249301

SCHEMBL2249301

COc1cc(OC)cc(OCc2cccc(-c3ccc(C(=O)N(Cc4cccc(C)c4)[C@@H](CCC(=O)O)C(N)=O)cc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.48
FFAR1 O14842 11/20 0.46
HSD17B1 P14061 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PPARD Q03181 2/20 0.40
MAOB P27338 2/20 0.40
AKR1B1 P15121 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
LTC4S Q16873 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A4 P14672 1/20 0.39

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
SCHEMBL2247300 0.95 HSD17B2 (0.45) HSD17B2FFAR1HSD17B1NPC1RAB9A
SCHEMBL2242479 0.90 HSD17B2 (0.45) HSD17B2FFAR1HSD17B1MAOBAKR1B1
SCHEMBL2251011 0.89 FFAR1 (0.43) HSD17B2FFAR1HSD17B1PPARDMAOB
SCHEMBL2244759 0.85 HSD17B2 (0.45) HSD17B2HSD17B1
SCHEMBL2247349 0.85 HSD17B2 (0.45) HSD17B2FFAR1HSD17B1PTGES
SCHEMBL4365889 0.83 PTGES (0.45) HSD17B2NPC1RAB9APTGESALOX5
SCHEMBL2254262 0.82 HSD17B2 (0.47) HSD17B2FFAR1PPARDPTGESALOX5
SCHEMBL2247817 0.82 HSD17B2 (0.42) HSD17B2FFAR1PPARDFFAR4PTGES
SCHEMBL2247819 0.82 HSD17B2 (0.42) HSD17B2HSD17B1NPC1RAB9A
SCHEMBL2247771 0.80 SLC2A1 (0.43) HSD17B2FFAR1RAB9AMAOBPTGES

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 HSD17B2 2502/4885FFAR1 3780/4885HSD17B1 2139/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD17B2 2502/4885FFAR1 3780/4885HSD17B1 2139/4885

“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.