SCHEMBL3223422

SCHEMBL3223422

CC(C)OC(=O)c1csc(C(C)C)c1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA9 Q16790 9/20 0.40
CA12 O43570 8/20 0.40
CA7 P43166 6/20 0.39
CA14 Q9ULX7 6/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL3199729 0.87 CA2 (0.46) CA1CA2CA9CA12CA14
SCHEMBL3200213 0.85 NPC1 (0.38) CA1CA2CA9CA12CA7
SCHEMBL3206602 0.84 CA1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL3215200 0.84 CA12 (0.41) CA1CA2CA9CA12CA7
SCHEMBL3216867 0.81 CA2 (0.39) CA1CA2CA9CA12CA7
SCHEMBL27461642 0.81 CA2 (0.41) CA1CA2CA9CA12CA7
SCHEMBL3207766 0.81 ALDH1A1 (0.45) CA1CA2CA9CA12ALDH1A1
SCHEMBL3224221 0.79 CA2 (0.38) CA1CA2CA9CA12CA7
SCHEMBL7035311 0.73 CA12 (0.40) CA1CA2CA9CA12CA7
SCHEMBL7028654 0.73 CA2 (0.44) CA1CA2CA9CA12CA7

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