SCHEMBL3211264

SCHEMBL3211264

CCOC(=O)c1csc(CC)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 9/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 2/20 0.42
PRKCZ Q05513 2/20 0.42
FHIT P49789 1/20 0.41

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
Hydrochloric Acid SCHEMBL11108092 0.98 ALDH1A1 (0.50) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3220413 0.87 ALDH1A1 (0.50) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3219948 0.87 HSP90AA1 (0.48) GAAMAPK1ALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL11109077 0.85 ALDH1A1 (0.48) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3218276 0.84 ALDH1A1 (0.50) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3199571 0.84 KDM4E (0.43) GAAMAPK1ALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL11107107 0.83 KDM4E (0.42) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3084169 0.80 GABRP (0.40) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL11113821 0.80 CA12 (0.39) MAPK1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL13014586 0.79 ALDH1A1 (0.49) GAAMAPK1ALDH1A1HSD17B10MAPT

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-7091158-B2 Substituted thienyl(amino)sulphonylureas BAYER AKTIENGESELLSCHAFT (DE) 2006-08-15 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
US-6887831-B1 Substituted thienyl(amino)sulfonylureas BAYER AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
US-4428963-A ANTILIPEMIC, ANTIOBESITY HOFFMANN-LA ROCHE INC. (US) 1984-01-31 US disclosed
US-4317915-A ANTILIPEMIC, ANTIOBESITY HOFFMANN-LA ROCHE INC. (US) 1982-03-02 US 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 GAA 3868/4885MAPK1 3267/4885ALDH1A1 975/4885
US-20050124496-A1 Substituted thienyl(amino)sulphonylureas TST, DDT, SULT1E1 GAA 2662/4885MAPK1 3787/4885ALDH1A1 419/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 GAA 3039/4885MAPK1 3327/4885ALDH1A1 597/4885

“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.