SCHEMBL2247955

SCHEMBL2247955

COc1cc(COc2ccc(-c3ccc(C(=O)N([C@@H](CCC(=O)O)C(N)=O)C(C)(C)Cc4ccccc4)cc3)cc2)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
FFAR1 O14842 8/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP10 Q53GL7 1/20 0.38
ALOX5 P09917 3/20 0.37
PTGES O14684 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
AKR1B1 P15121 1/20 0.37
PTPN1 P18031 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL2253026 0.93 FFAR1 (0.40) FFAR1PARP10FFAR4RAB9ASMN1; SMN2
SCHEMBL2243828 0.85 EPOR (0.38) LTA4HFFAR1PARP10ALOX5PTGES
SCHEMBL2248530 0.84 PDE4A (0.45) SMN1; SMN2
SCHEMBL2250531 0.84 HSD17B2 (0.43) FFAR1TDP1ALOX5PTGESTP53
SCHEMBL2249506 0.84 F10 (0.40) TDP1ALOX5PTGESNFKB1RAB9A
SCHEMBL2249360 0.84 BCL2 (0.43) FFAR1ALOX5PTGESPKMSMN1; SMN2
SCHEMBL2247553 0.84 PSEN1 (0.42) FFAR1ALOX5PTGESFFAR4
SCHEMBL2244683 0.81 SPHK2 (0.43) FFAR1TDP1ALOX5PTGESMRGPRX4
SCHEMBL2249342 0.81 MMP12 (0.43) PTPN1
SCHEMBL2251275 0.80 MMP12 (0.40) FFAR1ALOX5PTGESRAB9ASMN1; 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 LTA4H 638/4885FFAR1 3780/4885TDP1 1018/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 LTA4H 638/4885FFAR1 3780/4885TDP1 1018/4885

“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.