SCHEMBL787675

SCHEMBL787675

O=S(=O)(Cl)c1cccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
CA1 P00915 3/20 0.49
MAOB P27338 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
KAT6A Q92794 1/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
CYP1A2 P05177 1/20 0.46
CA12 O43570 3/20 0.46
PGR P06401 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CNR1 P21554 2/20 0.44
FBP1 P09467 1/20 0.41
PTGS2 P35354 2/20 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
SCHEMBL10408548 0.88 ALDH1A1 (0.56) CA2CA9CA1MAOBCA13
SCHEMBL297270 0.86 ALDH1A1 (0.62) CA2CA9CA1CA13KAT6A
SCHEMBL9997221 0.85 RXRA (0.49) CA2CA9CA1MAOBCA13
SCHEMBL788390 0.83 PTGES2 (0.52) ALDH1A1HSD17B10TDP1CNR1PTGS2
SCHEMBL308569 0.83 KAT6A (0.50) CA2CA9CA1MAOBCA13
SCHEMBL788244 0.83 MAOA (0.48) CA2CA9CA1MAOBKAT6A
SCHEMBL788431 0.83 MAOA (0.48) CA2CA9CA1MAOBMAOA
SCHEMBL6848937 0.83 CA2 (0.68) CA2CA9CA1MAOBCA13
SCHEMBL3384413 0.81 CA2 (0.53) CA2CA9CA1MAOBCA12
SCHEMBL13485835 0.80 CA1 (0.61) CA2CA9CA1MAOBCA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106863562-B A kind of the steam pressure kettle device and its working method steam-cured for air entrained concrete idiosome 徐州工程学院 2019-01-08 CN claimed
CN-106863562-B A kind of the steam pressure kettle device and its working method steam-cured for air entrained concrete idiosome 徐州工程学院 2019-01-08 CN disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
EP-2718264-B1 BENZOCYCLOHEPTENE ACETIC ACIDS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 WO disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
EP-1444225-A2 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. Applied Research Systems ARS Holding N.V. (AN) 2004-08-11 EP disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 WO disclosed
WO-2002102799-A2 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 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-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA CA2 2365/4885CA9 970/4885CA1 3962/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR CA2 3685/4885CA9 4426/4885CA1 4873/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 CA2 1495/4885CA9 1142/4885CA1 1588/4885

“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.