SCHEMBL8304558

SCHEMBL8304558

COC(=O)CCSCc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
POLB P06746 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.43
LTA4H P09960 1/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 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
SCHEMBL13315848 0.87 SMN1; SMN2 (0.56) TSHRPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL8305122 0.82 CYP2C19 (0.56) TSHRPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL9121424 0.80 POLB (0.60) TSHRPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4461404 0.78 SMN1; SMN2 (0.51) TSHRPOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL17633946 0.77 TSHR (0.50) TSHRPOLBMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8763040 0.77 SMN1; SMN2 (0.50) TSHRPOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL236205 0.76 HPGD (0.56) POLBMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL14345662 0.76 POLB (0.55) TSHRPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL2222434 0.76 SMN1; SMN2 (0.60) TSHRPOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL8895881 0.76 CYP2C19 (0.66) MAPTSMN1; SMN2ALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583421-B1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1999-06-16 EP disclosed
EP-0512400-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use SEARLE & CO (US) 1998-12-02 EP disclosed
US-5576315-A Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia G.D. SEARLE & CO. (US) 1996-11-19 US disclosed
US-5464830-A ANALGESICS G. D. SEARLE & CO. (US) 1995-11-07 US disclosed
US-5382578-A Anticonvulsants or antiischemic agents G. D. SEARLE & CO. (US) 1995-01-17 US disclosed
US-5378840-A Substituted dibenzoxazepine compounds G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0610303-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS AS ANALGESIC AGENTS G.D. SEARLE & CO. (US) 1994-08-17 EP disclosed
EP-0583421-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
US-5288719-A 2-,3-,8-and/or 10-substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating osteoporosis G. D. SEARLE & CO. (US) 1994-02-22 US disclosed
US-5212169-A Analgesics G. D. SEARLE & CO. (US) 1993-05-18 US disclosed
WO-1993009105-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS AS ANALGESIC AGENTS G.D. SEARLE & CO. (US) 1993-05-13 WO disclosed
EP-0539977-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ANALGESIC AGENTS AND PROSTAGLANDIN ANTAGONISTS G.D. Searle & Co. (US) 1993-05-05 EP disclosed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512400-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed