SCHEMBL731267

SCHEMBL731267

CCOC(=O)c1c(SC)n(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
STAT3 P40763 1/20 0.35
GRK6 P43250 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KCNH2 Q12809 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PLAT P00750 1/20 0.31
P2RX7 Q99572 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL605767 0.90 ADRB2 (0.41) ADRB2STAT3GRK6KCNH2KDM4E
SCHEMBL4294692 0.87 ADRB2 (0.39) ADRB2STAT3GRK6NPC1RAB9A
SCHEMBL730034 0.85 ADRB2 (0.37) ADRB2STAT3GRK6KCNH2
SCHEMBL5908346 0.80 KMT2A (0.43) ADRB2GRK6NPC1RAB9AKMT2A
SCHEMBL537062 0.79 GRK6 (0.36) ADRB2GRK6NPC1RAB9AKMT2A
SCHEMBL1984659 0.77 ADRB2 (0.58) ADRB2STAT3KMT2AKCNH2KDM4E
SCHEMBL536999 0.76 ADRB2 (0.40) ADRB2STAT3GRK6KCNH2
SCHEMBL590784 0.76 ALDH1A1 (0.37) ADRB2GRK6NPC1RAB9AKMT2A
SCHEMBL9209414 0.76 GRK6 (0.39) ADRB2STAT3GRK6NPC1RAB9A
SCHEMBL28404470 0.76 ADRB2 (0.39) ADRB2STAT3GRK6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138346-B2 Method for synthesis of 8-alkoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones ACHILLION PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8138346-B2 Method for synthesis of 8-alkoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones ACHILLION PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20110213152-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110213152-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-7902365-B2 Using a 2-sulfone, 3-carboxylate, 4-oxoquinoline as chemical intermediate ; cyclization ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-7902365-B2 Using a 2-sulfone, 3-carboxylate, 4-oxoquinoline as chemical intermediate ; cyclization ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20080071086-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2008-03-20 US disclosed
US-20080071086-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2008-03-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110213152-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES QDPR, CYP4B1, DRD4 ADRB2 845/4885STAT3 4250/4885GRK6 1038/4885
US-20080071086-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES QDPR, CYP4B1, DRD4 ADRB2 845/4885STAT3 4250/4885GRK6 1038/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.