SCHEMBL2244013

SCHEMBL2244013

CC(C)(Cc1ccccc1)N(C(=O)c1ccc(-c2ccc(F)c(Cl)c2)s1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 14/20 0.36
HSD17B1 P14061 10/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ICMT O60725 1/20 0.34
HPGDS O60760 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
STS P08842 1/20 0.33
C3AR1 Q16581 1/20 0.33

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
SCHEMBL2249032 0.95 IKBKB (0.36) HSD17B2HSD17B1ERCC5FEN1ICMT
SCHEMBL2247277 0.94 HSD17B1 (0.37) HSD17B2HSD17B1ERCC5FEN1ICMT
SCHEMBL2254209 0.91 IKBKB (0.41) HSD17B2HSD17B1HPGDSC3AR1
SCHEMBL27708310 0.90 HSD17B2 (0.36) HSD17B2HSD17B1ERCC5FEN1ICMT
SCHEMBL2245314 0.89 ERCC5 (0.35) HSD17B2HSD17B1ERCC5FEN1KDM4E
SCHEMBL2246075 0.86 IKBKB (0.39) HSD17B2HSD17B1KDM4EMAPTRAB9A
SCHEMBL2253017 0.86 HSD17B2 (0.39) HSD17B2HSD17B1ERCC5FEN1KDM4E
SCHEMBL28770018 0.84 ACKR3 (0.42) HSD17B2HSD17B1HPGDSKDM4E
SCHEMBL2245078 0.81 HPGDS (0.40) HSD17B2HSD17B1HPGDS
SCHEMBL2245895 0.81 ALDH1A1 (0.45) HSD17B2HSD17B1HPGDSKDM4ELMNA

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 2139/4885ERCC5 3178/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD17B2 2502/4885HSD17B1 2139/4885ERCC5 3178/4885

“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.