SCHEMBL2247375

SCHEMBL2247375

CC(C)(Cc1ccc(Cl)cc1)N(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.39
HSD17B2 P37059 5/20 0.39
HSD17B1 P14061 4/20 0.39
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ACKR3 P25106 3/20 0.34
CNR1 P21554 1/20 0.34
C3AR1 Q16581 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 2/20 0.33
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2243912 0.96 IKBKB (0.43) IKBKBHSD17B2HSD17B1C3AR1MCHR1
SCHEMBL2249514 0.96 HSD17B2 (0.42) IKBKBHSD17B2HSD17B1KDM4ENPC1
SCHEMBL2247408 0.92 ACKR3 (0.41) HSD17B2HSD17B1KDM4ENPC1RAB9A
SCHEMBL27708405 0.92 IKBKB (0.41) IKBKBHSD17B2HSD17B1ACKR3C3AR1
SCHEMBL2244955 0.92 HSD17B2 (0.45) HSD17B2HSD17B1KDM4ENPC1RAB9A
SCHEMBL2249788 0.92 IKBKB (0.39) IKBKBHSD17B2HSD17B1KDM4ENPC1
SCHEMBL4624086 0.91 HSD17B2 (0.39) IKBKBHSD17B2HSD17B1KDM4ENPC1
SCHEMBL2247381 0.90 IKBKB (0.38) IKBKBHSD17B2HSD17B1ACKR3CNR1
SCHEMBL2246075 0.90 IKBKB (0.39) IKBKBHSD17B2HSD17B1KDM4ENPC1
SCHEMBL27708310 0.86 HSD17B2 (0.36) HSD17B2HSD17B1KDM4ERAB9AC3AR1

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 IKBKB 1637/4885HSD17B2 2502/4885HSD17B1 2139/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 IKBKB 1637/4885HSD17B2 2502/4885HSD17B1 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.