SCHEMBL20124752

CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ADAMTS4	O75173	6/20	1.00

▸	MMP2	P08253	14/20	0.72

▸	MMP13	P45452	11/20	0.72

▸	MMP3	P08254	10/20	0.72

▸	MMP9	P14780	10/20	0.72

▸	MMP1	P03956	9/20	0.72

▸	MMP7	P09237	9/20	0.72

▸	MMP14	P50281	1/20	0.69

▸	MMP8	P22894	1/20	0.66

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.

Compound	similarity	top predicted	shared targets
SCHEMBL3096857	0.85	ADAMTS4 (0.73)	ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL32691806	0.84	MMP2 (1.00)	ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL4653257	0.84	MMP2 (1.00)	ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL1750956	0.84	MMP2 (1.00)	ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL1655901	0.83	ADAMTS4 (1.00)	ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL8283899	0.83	ADAMTS4 (1.00)	ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL7870625	0.83	MMP2 (1.00)	ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL7870619	0.83	MMP2 (1.00)	ADAMTS4MMP2MMP13MMP3MMP9
SCHEMBL3612325	0.83	MMP2 (1.00)	ADAMTS4MMP2MMP13MMP7MMP14
SCHEMBL13314446	0.83	MMP2 (1.00)	ADAMTS4MMP2MMP13MMP7MMP14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2681209-B1	COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS	AQUILUS PHARMACEUTICALS INC (US)	2018-05-09	—	—	EP	disclosed