SCHEMBL1379772

SCHEMBL1379772

C[CH]C(=O)NS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
MMP1 P03956 2/20 0.58
MMP2 P08253 2/20 0.58
MMP9 P14780 2/20 0.58
MMP8 P22894 2/20 0.58
MMP13 P45452 2/20 0.58
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
DHFR P00374 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FLT1 P17948 3/20 0.42
FLT4 P35916 3/20 0.42
KDR P35968 3/20 0.42
ITGA1 P56199 2/20 0.42
PTGS2 P35354 2/20 0.41

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
SCHEMBL7827682 0.81 CA2 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL29238320 0.79 SMN1; SMN2 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL1382343 0.78 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL25392727 0.77 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL3805836 0.76 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL1382333 0.76 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL4773166 0.76 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL8229583 0.74 CA1 (1.00) CA1CA2MMP1MMP2MMP9
SCHEMBL1298410 0.72 HRH3 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL6932492 0.71 CA1 (0.53) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4615710-B2 2011-01-19 JP claimed
EP-1056710-B1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME SAE HAN PHARM CO LTD (KR) 2003-12-10 EP claimed
US-6593363-B1 The present invention relates to diterpene derivatives prepared from the components which are extracted from Acanthopanax Koreanum and represented by Chemical Formula (1). SAE HAN PHARM. CO., LTD. (KR) 2003-07-15 US claimed
EP-1056710-A1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME Sae Han Pharm. Co., Ltd. (KR) 2000-12-06 EP claimed
WO-1999037600-A1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME SAE HAN PHARM. CO., LTD. (KR) 1999-07-29 WO claimed
EP-1056710-B1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME SAE HAN PHARM CO LTD (KR) 2003-12-10 EP disclosed
US-6593363-B1 The present invention relates to diterpene derivatives prepared from the components which are extracted from Acanthopanax Koreanum and represented by Chemical Formula (1). SAE HAN PHARM. CO., LTD. (KR) 2003-07-15 US disclosed
EP-1056710-A1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME Sae Han Pharm. Co., Ltd. (KR) 2000-12-06 EP disclosed
WO-1999037600-A1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME SAE HAN PHARM. CO., LTD. (KR) 1999-07-29 WO disclosed