SCHEMBL4373945

SCHEMBL4373945

CCOC(=O)c1csc(Br)c1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRNA7 P36544 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
STS P08842 1/20 0.40

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
SCHEMBL3211322 0.86 CA12 (0.45) CA1CA2CA12CA9MAPT
SCHEMBL3205561 0.85 CA1 (0.44) CA1CA2CA12CA9MAPT
SCHEMBL3207148 0.84 CA1 (0.49) CA1CA2CA12CA9MAPT
SCHEMBL3206602 0.82 CA1 (0.45) CA1CA2CA12CA9MAPT
SCHEMBL27477316 0.82 CA1 (0.42) CA1CA2CA12CA9MAPT
SCHEMBL3205576 0.82 CA1 (0.42) CA1CA2CA12CA9MAPT
SCHEMBL29091059 0.82 CA12 (0.44) CA1CA2CA12CA9MAPT
SCHEMBL7034372 0.80 MAPT (0.47) CA1CA2CA12CA9MAPT
SCHEMBL29137861 0.79 TSHR (0.53) CA1CA2CA12CA9MAPT
SCHEMBL3216663 0.77 ALDH1A1 (0.45) CA1CA2CA12CA9MAPT

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
US-7625841-B2 Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2009-12-01 US disclosed
US-7625841-B2 Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2009-12-01 US disclosed
US-7625841-B2 Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2009-12-01 US disclosed
EP-1443822-B1 SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1443822-B1 SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
US-20080269061-A1 Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-10-30 US disclosed
US-20080269061-A1 Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-10-30 US disclosed
US-20080269061-A1 Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-10-30 US disclosed
US-7410933-B2 Substituted thiene-3-ylsulphonylamino(thio)carbonyl-triazolin(thi)ones BAYER CROPSCIENCE AG (DE) 2008-08-12 US disclosed
US-7410933-B2 Substituted thiene-3-ylsulphonylamino(thio)carbonyl-triazolin(thi)ones BAYER CROPSCIENCE AG (DE) 2008-08-12 US disclosed
US-7410933-B2 Substituted thiene-3-ylsulphonylamino(thio)carbonyl-triazolin(thi)ones BAYER CROPSCIENCE AG (DE) 2008-08-12 US disclosed
CN-1324964-C Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(thi)ones BAYER CROPSCIENCE AG (DE) 2007-07-11 CN disclosed
CN-1578625-A Substituted thiophen-3-yl-sulfonylamino carbonyl-triazolin (thi) ones BAYER CROPSCIENCE AG (DE) 2005-02-09 CN disclosed
US-20050014809-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(thi)ones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-01-20 US disclosed
EP-1443822-A1 SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES Bayer CropScience AG (DE) 2004-08-11 EP disclosed
WO-2003037086-A1 SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES BAYER CROPSCIENCE AG (DE) 2003-05-08 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 (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-20050014809-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(thi)ones DDT, TARS2, TST CA1 3788/4885CA2 1731/4885CA12 4554/4885
US-20080269061-A1 Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones DDT, NAT1, TARS2 CA1 3846/4885CA2 1827/4885CA12 4640/4885

“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.