SCHEMBL3199729

SCHEMBL3199729

COC(=O)c1csc(C(C)C)c1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
CA9 Q16790 3/20 0.46
CA5A P35218 1/20 0.46
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CFTR P13569 1/20 0.37
KMT2A Q03164 3/20 0.36
CA12 O43570 2/20 0.36
HTT P42858 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CHEK1 O14757 1/20 0.35
MET P08581 1/20 0.35
GSK3B P49841 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL3223422 0.87 CA1 (0.40) CA2CA1CA9CA5AKDM4E
SCHEMBL3206602 0.85 CA1 (0.45) CA2CA1CA9ALDH1A1HSD17B10
SCHEMBL3215791 0.85 CA1 (0.36) CA2CA1CA9CA5AKDM4E
SCHEMBL3207766 0.82 ALDH1A1 (0.45) CA2CA1CA9KDM4EALDH1A1
SCHEMBL1523787 0.80 CA2 (0.46) CA2CA1CA9CA5AKDM4E
SCHEMBL3212068 0.80 CA2 (0.46) CA2CA1CA9CA5AKDM4E
SCHEMBL3197331 0.78 ALDH1A1 (0.44) CA2CA1CA9CA5AKDM4E
SCHEMBL3217589 0.77 CA2 (0.44) CA2CA1CA9CA5AKDM4E
SCHEMBL27476911 0.77 CA2 (0.44) CA2CA1CA9CA5AKDM4E
Hydrochloric Acid SCHEMBL11106673 0.76 ALDH1A1 (0.43) CA2CA1CA9CA5AKDM4E

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 2713/4885CA1 3440/4885CA9 3516/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 CA2 1297/4885CA1 3277/4885CA9 3578/4885

“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.