SCHEMBL3209917

SCHEMBL3209917

CCCc1scc(C(=O)OC(C)C)c1S(=O)(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.33
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA9 Q16790 6/20 0.33
CA7 P43166 5/20 0.33
CA14 Q9ULX7 5/20 0.33
NPC1 O15118 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3207237 0.89 CA12 (0.35) CA12CA1CA2CA9CA7
SCHEMBL3224221 0.86 CA2 (0.38) CA12CA1CA2CA9CA7
SCHEMBL3215635 0.85 KDM4E (0.38) CA1CA2CA9
SCHEMBL3219726 0.83 TSHR (0.40) CA12CA1CA2CA9CA7
SCHEMBL3214104 0.82 ALDH1A1 (0.44) CA12CA1CA2CA9
SCHEMBL3218265 0.80 CA12 (0.36) CA12CA1CA2CA9CA7
SCHEMBL3200213 0.79 NPC1 (0.38) CA12CA1CA2CA9CA7
SCHEMBL27552037 0.78 CA12 (0.38) CA12CA1CA2CA9CA7
SCHEMBL3216867 0.75 CA2 (0.39) CA12CA1CA2CA9CA7
SCHEMBL3199722 0.73 KDM4E (0.37) CA1CA2CA9CYP2C9

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 8 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-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-1200426-B1 SUBSTITUTED THIENE-3-YL-SULFONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES BAYER CROPSCIENCE AG (DE) 2004-02-25 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-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 CA12 2976/4885CA1 3440/4885CA2 2713/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 CA12 3954/4885CA1 3277/4885CA2 1297/4885

“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.