SCHEMBL3209688

SCHEMBL3209688

CCCOC(=O)c1csc(CC)c1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 6/20 0.43
STS P08842 2/20 0.43
MAPK1 P28482 2/20 0.40
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL3222470 0.90 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL3205561 0.88 CA1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL3216663 0.86 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL3214991 0.86 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL3217589 0.84 CA2 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL3207766 0.82 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL13062510 0.80 ALDH1A1 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL3216867 0.80 CA2 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL3205576 0.80 CA1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL3220413 0.79 ALDH1A1 (0.50) ALDH1A1STSMAPK1LMNAGAA

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 9 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
US-20050124496-A1 Substituted thienyl(amino)sulphonylureas GESING ERNST RUDOLF F (DE) 2005-06-09 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 (3 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 ALDH1A1 975/4885CA12 2976/4885CA1 3440/4885
US-20050124496-A1 Substituted thienyl(amino)sulphonylureas TST, DDT, SULT1E1 ALDH1A1 419/4885CA12 4703/4885CA1 3961/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 ALDH1A1 597/4885CA12 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.