SCHEMBL7375137

SCHEMBL7375137

CC(C)c1ccccc1S(=O)(=O)c1c(O)cc(-c2ccc(OCc3cccnc3)cc2)oc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.43
TERT O14746 3/20 0.40
ABCB1 P08183 1/20 0.38
MAPT P10636 1/20 0.38
ACACB O00763 1/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR132 Q9UNW8 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
ADAM17 P78536 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL7371871 0.82 ADAMTS4 (0.41) ADAMTS4TERTABCB1MAPTACACB
SCHEMBL8438712 0.81 ADAMTS4 (0.45) ADAMTS4TERTACACBMAPK1HPGD
SCHEMBL6959848 0.80 ADAMTS4 (0.40) ADAMTS4TERTABCB1MAPTACACB
SCHEMBL8540378 0.79 ACHE (0.48) ADAMTS4TERTACACB
Cyclopentane SCHEMBL6955464 0.78 ADAMTS4 (0.39) ADAMTS4TERTACACBMAPK1GPR132
Cyclopropane SCHEMBL6955630 0.78 ADAMTS4 (0.39) ADAMTS4TERTACACBMAPK1GPR132
Cyclohexane SCHEMBL6955484 0.78 ADAMTS4 (0.39) ADAMTS4TERTACACBMAPK1GPR132
SCHEMBL7371500 0.78 ADAMTS4 (0.42) ADAMTS4TERTACACBHPGDSMN1; SMN2
SCHEMBL7374103 0.77 CREB1 (0.48) TERTABCB1MAPTMAPK1KDM4E
SCHEMBL7376620 0.76 ADAMTS4 (0.42) ADAMTS4TERTABCB1MAPTMAPK1

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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed