SCHEMBL3216867

SCHEMBL3216867

CCc1scc(C(=O)OC(C)C)c1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.39
CA12 O43570 10/20 0.39
CA1 P00915 10/20 0.39
CA9 Q16790 10/20 0.39
CA7 P43166 6/20 0.38
CA14 Q9ULX7 6/20 0.38
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKCI P41743 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
SCHEMBL3224221 0.89 CA2 (0.38) CA2CA12CA1CA9CA7
SCHEMBL3207237 0.86 CA12 (0.35) CA2CA12CA1CA9CA7
SCHEMBL3217589 0.84 CA2 (0.44) CA2CA12CA1CA9CA14
SCHEMBL3205561 0.82 CA1 (0.44) CA2CA12CA1CA9CA7
SCHEMBL3215200 0.82 CA12 (0.41) CA2CA12CA1CA9CA7
SCHEMBL3223422 0.81 CA1 (0.40) CA2CA12CA1CA9CA7
SCHEMBL13014576 0.80 CYP2C9 (0.33) CA2CA12CA1CA9CA7
SCHEMBL27461642 0.80 CA2 (0.41) CA2CA12CA1CA9CA7
SCHEMBL3209688 0.80 ALDH1A1 (0.45) CA2CA12CA1CA9ALDH1A1
SCHEMBL11113821 0.79 CA12 (0.39) CA2CA12CA1CA9CA7

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-7858805-B2 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones BAYER AKTIENGESELLSCHAFT (DE) 2010-12-28 US disclosed
US-20100056798-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2010-03-04 US disclosed
US-7642221-B2 herbicides; preparation from chemical intermediates; treating the crops BAYER AKTIENGESELLSCHAFT (DE) 2010-01-05 US disclosed
US-7091158-B2 Substituted thienyl(amino)sulphonylureas BAYER AKTIENGESELLSCHAFT (DE) 2006-08-15 US disclosed
EP-1598351-A1 Substituted N-pyrimidinyl-N'-thienyl(amino)sulfonylureas as herbicides Bayer CropScience AG (DE) 2005-11-23 EP disclosed
US-6964939-B1 Substituted thiene-3-yl-sulfonyl amino(thio)carbonyl-triazolin(thi)ones BAYER AKTIENGESELLSCHAFT (DE) 2005-11-15 US disclosed
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-16 US disclosed
EP-1206468-B1 SUBSTITUTED THIENYL(AMINO)SULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2005-06-15 EP disclosed
US-6887831-B1 Substituted thienyl(amino)sulfonylureas BAYER AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
EP-1200426-B1 SUBSTITUTED THIENE-3-YL-SULFONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES BAYER CROPSCIENCE AG (DE) 2004-02-25 EP disclosed
CN-1137119-C Substituted thineyl (amino) sulfonylureas 2004-02-04 CN disclosed
CN-1368971-A Substituted thineyl (amino) sulfonylureas BAYER AG (DE) 2002-09-11 CN disclosed
EP-1206468-A2 SUBSTITUTED THIENYL(AMINO)SULFONYLUREAS Bayer Aktiengesellschaft (DE) 2002-05-22 EP disclosed
EP-1200426-A1 SUBSTITUTED THIENE-3-YL-SULFONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES Bayer Aktiengesellschaft (DE) 2002-05-02 EP disclosed
WO-2001010863-A2 SUBSTITUTED THIENYL(AMINO)SULFONYLUREAS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-15 WO disclosed
WO-2001005788-A1 SUBSTITUTED THIENE-3-YL-SULFONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-25 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-20100056798-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, CCNE2 CA2 2713/4885CA12 2976/4885CA1 3440/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 CA2 1297/4885CA12 3954/4885CA1 3277/4885

“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.