SCHEMBL2247935

SCHEMBL2247935

CC(C)(Cc1ccc(F)cc1)N(C(=O)c1ccc(-c2cccnc2)s1)[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITK Q08881 1/20 0.38
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
GRM1 Q13255 1/20 0.37
HSD17B1 P14061 4/20 0.36

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
SCHEMBL2243888 0.93 MKNK1 (0.43) MKNK1MKNK2CYP3A4CYP2A6CYP2C9
SCHEMBL2249302 0.92 MKNK1 (0.41) MKNK1MKNK2CYP3A4CYP2A6CYP2C9
SCHEMBL2247408 0.92 ACKR3 (0.41) HDAC6HSD17B1HSD17B2ACKR3MAPT
SCHEMBL2249514 0.90 HSD17B2 (0.42) HSD17B1HSD17B2ACKR3MAPT
SCHEMBL2244955 0.88 HSD17B2 (0.45) HSD17B1HSD17B2ACKR3MAPT
SCHEMBL4624086 0.86 HSD17B2 (0.39) ITKHSD17B1HSD17B2PTGDR2ACKR3
SCHEMBL2247375 0.86 IKBKB (0.39) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL2254228 0.85 HSD17B2 (0.49) HDAC6HSD17B1HSD17B2
SCHEMBL2247405 0.85 ACKR3 (0.42) CYP3A4ITKHDAC4HDAC1HDAC6
SCHEMBL2247439 0.85 HSD17B2 (0.43) HDAC6HSD17B1HSD17B2ACKR3

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 7 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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 MKNK1 2868/4885MKNK2 2824/4885CYP3A4 4874/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MKNK1 2868/4885MKNK2 2824/4885CYP3A4 4874/4885

“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.