SCHEMBL2247381

SCHEMBL2247381

CC(C)(Cc1ccc(Cl)cc1)N(C(=O)c1ccc(-c2ccncc2)s1)[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.38
ITK Q08881 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ACKR3 P25106 1/20 0.35
CNR1 P21554 1/20 0.34
C3AR1 Q16581 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL2243912 0.95 IKBKB (0.43) IKBKBC3AR1CYP1A2CYP3A4CYP2D6
SCHEMBL2249788 0.93 IKBKB (0.39) IKBKBITKC3AR1HSD17B2HSD17B1
SCHEMBL2247405 0.92 ACKR3 (0.42) ITKHDAC3HDAC4HDAC1HDAC7
SCHEMBL2249302 0.92 MKNK1 (0.41) IKBKBITKHDAC3HDAC4HDAC1
SCHEMBL27708405 0.91 IKBKB (0.41) IKBKBACKR3C3AR1HSD17B2HSD17B1
SCHEMBL2247375 0.90 IKBKB (0.39) IKBKBACKR3CNR1C3AR1CYP1A2
SCHEMBL2247112 0.87 HSD17B2 (0.49) HDAC6CNR1HSD17B2HSD17B1MCHR1
SCHEMBL2247439 0.86 HSD17B2 (0.43) HDAC6ACKR3HSD17B2HSD17B1
SCHEMBL2249514 0.85 HSD17B2 (0.42) IKBKBACKR3HSD17B2HSD17B1MCHR1
SCHEMBL2243888 0.84 MKNK1 (0.43) ITKHDAC3HDAC4HDAC1HDAC7

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 1637/4885ITK 4716/4885HDAC3 212/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 IKBKB 1637/4885ITK 4716/4885HDAC3 212/4885

“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.