SCHEMBL3224221

SCHEMBL3224221

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.38
CA12 O43570 9/20 0.38
CA1 P00915 9/20 0.38
CA9 Q16790 9/20 0.38
CA7 P43166 6/20 0.36
CA14 Q9ULX7 6/20 0.36
NPC1 O15118 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3216867 0.89 CA2 (0.39) CA2CA12CA1CA9CA7
SCHEMBL3209917 0.86 CA12 (0.33) CA2CA12CA1CA9CA7
SCHEMBL3210940 0.85 CA2 (0.42) CA2CA12CA1CA9CA14
SCHEMBL3205576 0.83 CA1 (0.42) CA2CA12CA1CA9CA7
SCHEMBL3222470 0.82 ALDH1A1 (0.44) CA2CA12CA1CA9CYP2C9
SCHEMBL3215200 0.80 CA12 (0.41) CA2CA12CA1CA9CA7
SCHEMBL3223422 0.79 CA1 (0.40) CA2CA12CA1CA9CA7
SCHEMBL27461642 0.78 CA2 (0.41) CA2CA12CA1CA9CA7
SCHEMBL3207237 0.75 CA12 (0.35) CA2CA12CA1CA9CA7
SCHEMBL3217589 0.73 CA2 (0.44) CA2CA12CA1CA9CA14

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 10 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
CN-1158280-C Substituted thiene-3-yl-sulfonyl amino (thio) carbonyl-triazolin (thi) ones 2004-07-21 CN 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-1361778-A Substituted thien-3-ylsulfonylamino (thio) carbonyltriazolin (thi) ones BAYER AG (DE) 2002-07-31 CN 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 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.