SCHEMBL6940328

SCHEMBL6940328

COc1ccc2sc(C(N)=O)c(OC(C)C)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 4/20 1.00
SELE P16581 4/20 1.00
VCAM1 P19320 1/20 1.00
MPO P05164 1/20 0.58
CYSLTR1 Q9Y271 1/20 0.58
EDNRA P25101 1/20 0.56
TSHR P16473 2/20 0.52
PRNP P04156 1/20 0.52
MAPK1 P28482 1/20 0.52
PPARG P37231 1/20 0.52
HTT P42858 1/20 0.52
MAPK10 P53779 1/20 0.52
NCOA2 Q15596 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 4/20 0.43

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
SCHEMBL8443028 0.89 ICAM1 (0.81) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL5040288 0.88 ICAM1 (0.78) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL8442991 0.87 ICAM1 (0.77) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL5034022 0.85 ICAM1 (0.74) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL8443644 0.85 ICAM1 (1.00) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL8443032 0.85 ICAM1 (0.76) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL8445133 0.85 ICAM1 (0.76) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL8442746 0.85 ICAM1 (0.78) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL8443506 0.84 ICAM1 (1.00) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6945268 0.84 ICAM1 (0.81) ICAM1SELEVCAM1MPOCYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628038-B1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO [b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER LAMBERT CO (US) 1999-08-04 EP claimed
US-5444085-A Administering benzothiophene compounds WARNER-LAMBERT COMPANY (US) 1995-08-22 US claimed
WO-1995005170-A1 METHODS OF INHIBITING HIV AND INHIBITING THE ACTIVATION OF HIV WARNER-LAMBERT COMPANY (US) 1995-02-23 WO claimed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP claimed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO claimed
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US claimed
EP-4129293-A1 NERVE CELL DEGENERATION INHIBITOR Kyoto University (JP) 2023-02-08 EP disclosed
EP-0916666-B1 3-(1-Methylethoxy)benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER LAMBERT CO (US) 2003-05-07 EP disclosed
EP-0628038-B1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO [b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER LAMBERT CO (US) 1999-08-04 EP disclosed
EP-0916666-A1 3-alkyloxy-,aryloxy-, or arylalkyloxy-benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1999-05-19 EP disclosed
US-5444085-A Administering benzothiophene compounds WARNER-LAMBERT COMPANY (US) 1995-08-22 US disclosed
WO-1995005170-A1 METHODS OF INHIBITING HIV AND INHIBITING THE ACTIVATION OF HIV WARNER-LAMBERT COMPANY (US) 1995-02-23 WO disclosed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP disclosed
US-5356926-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-10-18 US disclosed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO disclosed
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed