SCHEMBL3216286

SCHEMBL3216286

CCCOC(=O)c1csc(CCC)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 3/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
ESR1 P03372 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GRM6 O15303 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3220413 0.89 ALDH1A1 (0.50) ALDH1A1HSD17B10LMNAMAPK1KDM4E
SCHEMBL3219948 0.89 HSP90AA1 (0.48) ALDH1A1HSD17B10LMNAMAPK1POLB
Hydrochloric Acid SCHEMBL11109077 0.88 ALDH1A1 (0.48) ALDH1A1HSD17B10LMNAMAPK1KDM4E
SCHEMBL3216608 0.84 KDM4E (0.44) ALDH1A1HSD17B10LMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL11104467 0.83 KDM4E (0.43) ALDH1A1HSD17B10LMNAKDM4EPOLB
SCHEMBL3217568 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10LMNAMAPK1KDM4E
SCHEMBL3221087 0.80 GABRP (0.37) ALDH1A1KDM4ETSHRMAPTHSP90AA1
SCHEMBL3222470 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAMAPK1TSHR
SCHEMBL3211635 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10LMNAMAPK1KDM4E
SCHEMBL3214104 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAMAPK1KDM4E

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 7 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
CN-1361778-A Substituted thien-3-ylsulfonylamino (thio) carbonyltriazolin (thi) ones BAYER AG (DE) 2002-07-31 CN 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 ALDH1A1 975/4885HSD17B10 2079/4885LMNA 3576/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 ALDH1A1 597/4885HSD17B10 1783/4885LMNA 4140/4885

“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.