SCHEMBL3199722

SCHEMBL3199722

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 4/20 0.37
CHEK1 O14757 1/20 0.36
MET P08581 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
LMNA P02545 2/20 0.35
PPARG P37231 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
SCHEMBL3215635 0.88 KDM4E (0.38) KDM4EKMT2ACHEK1METGSK3B
SCHEMBL3219800 0.86 TSHR (0.42) KDM4EKMT2AALDH1A1TSHRMAPT
SCHEMBL3217589 0.84 CA2 (0.44) KDM4EKMT2ACHEK1METGSK3B
SCHEMBL3214991 0.84 ALDH1A1 (0.45) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL3207237 0.84 CA12 (0.35) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL3215781 0.81 MAPT (0.41) KDM4EKMT2ACHEK1METGSK3B
SCHEMBL11502295 0.81 CHEK1 (0.38) KDM4EKMT2ACHEK1METGSK3B
SCHEMBL3215791 0.77 CA1 (0.36) KDM4EKMT2ACHEK1METGSK3B
SCHEMBL3217575 0.76 NPSR1 (0.38) KDM4EKMT2ACHEK1METGSK3B
SCHEMBL7030993 0.75 KDM4E (0.46) KDM4EKMT2AMAPTLMNACYP1A2

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 KDM4E 812/4885KMT2A 1752/4885CHEK1 298/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 KDM4E 627/4885KMT2A 1327/4885CHEK1 457/4885

“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.