SCHEMBL7366734

SCHEMBL7366734

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(I)c(I)c1)C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.40
ERAP2 Q6P179 2/20 0.40
MMP3 P08254 8/20 0.36
MMP1 P03956 4/20 0.36
OPRK1 P41145 2/20 0.35
MMP2 P08253 1/20 0.34
OPRD1 P41143 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRM1 P35372 1/20 0.34
ECE1 P42892 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
CTSD P07339 1/20 0.34

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
SCHEMBL7361335 0.92 MMP3 (0.42) LNPEPERAP2MMP3MMP1MMP2
SCHEMBL7423322 0.90 ERAP2 (0.40) LNPEPERAP2MMP3MMP1MMP2
SCHEMBL7355861 0.88 PSMB1 (0.41) LNPEPERAP2MMP3MMP1
SCHEMBL7364939 0.87 ERAP2 (0.40) LNPEPERAP2MMP3MMP1MMP2
SCHEMBL7400006 0.86 MMP3 (0.42) LNPEPERAP2MMP3MMP1MMP2
SCHEMBL7364809 0.86 MMP3 (0.39) MMP3MMP1MMP2CTSLCTSB
SCHEMBL7357732 0.85 MMP3 (0.46) LNPEPERAP2MMP3MMP1MMP2
SCHEMBL7484700 0.85 MMP3 (0.37) LNPEPERAP2MMP3MMP1MMP2
SCHEMBL8903088 0.84 MMP3 (0.37) LNPEPERAP2MMP3MMP1MMP2
SCHEMBL7357685 0.83 MMP3 (0.44) MMP3MMP1OPRK1MMP2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed