SCHEMBL729612

SCHEMBL729612

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
STAT3 P40763 1/20 0.36
KCNH2 Q12809 3/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PRKD3 O94806 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
CLK2 P49760 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSK3B P49841 1/20 0.34
GRK6 P43250 1/20 0.33

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
SCHEMBL730034 0.90 ADRB2 (0.37) ADRB2STAT3KCNH2GRK6
SCHEMBL2675015 0.88 GRK6 (0.36) ADRB2KCNH2KDM4EALDH1A1HPGD
SCHEMBL15077883 0.85 KCNH2 (0.45) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL536999 0.85 ADRB2 (0.40) ADRB2STAT3KCNH2POLBGSK3B
SCHEMBL605767 0.84 ADRB2 (0.41) ADRB2STAT3KCNH2POLBKDM4E
SCHEMBL28404470 0.83 ADRB2 (0.39) ADRB2STAT3GRK6
SCHEMBL729663 0.83 KCNH2 (0.59) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL729608 0.83 KCNH2 (0.45) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL729664 0.83 KCNH2 (0.59) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL729609 0.83 KCNH2 (0.45) KCNH2POLBKDM4EPRKD3ALDH1A1

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
WO-2013096785-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC. (US) 2013-06-27 US disclosed
US-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC. (US) 2013-06-27 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-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

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

For each of this compound's patents that has machine-readable text (4 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-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, DDX5, QTRT2 ADRB2 1422/4885STAT3 2224/4885KCNH2 1892/4885
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, QTRT2, DHX35 ADRB2 3469/4885STAT3 2805/4885KCNH2 2021/4885
US-20110213152-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES QDPR, CYP4B1, DRD4 ADRB2 845/4885STAT3 4250/4885KCNH2 76/4885
US-20080071086-A1 METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES QDPR, CYP4B1, DRD4 ADRB2 845/4885STAT3 4250/4885KCNH2 76/4885

“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.