SCHEMBL730034

SCHEMBL730034

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.37
STAT3 P40763 1/20 0.35
GRK6 P43250 1/20 0.32
KCNH2 Q12809 3/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL729612 0.90 ADRB2 (0.39) ADRB2STAT3GRK6KCNH2
SCHEMBL4294692 0.86 ADRB2 (0.39) ADRB2STAT3GRK6KCNH2
SCHEMBL2676613 0.86 KCNH2 (0.38) KCNH2
SCHEMBL731267 0.85 ADRB2 (0.40) ADRB2STAT3GRK6KCNH2
SCHEMBL536990 0.84 TOP2A (0.30)
SCHEMBL727962 0.84 KCNH2 (0.38) KCNH2
SCHEMBL727961 0.84 KCNH2 (0.38) KCNH2
SCHEMBL5908575 0.80 KMT2A (0.43) ADRB2GRK6
SCHEMBL2675015 0.80 GRK6 (0.36) ADRB2GRK6KCNH2
SCHEMBL15077883 0.78 KCNH2 (0.45) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 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-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-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-7902365-B2 Using a 2-sulfone, 3-carboxylate, 4-oxoquinoline as chemical intermediate ; cyclization ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 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
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
WO-2008021491-A2 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES ACHILLION PHARMACEUTICALS, INC. (US) 2008-02-21 WO 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 (3 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-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, QTRT2, DHX35 ADRB2 3469/4885STAT3 2805/4885GRK6 1794/4885
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.