SCHEMBL3197331

SCHEMBL3197331

COC(=O)c1csc(C(C)C)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
CFTR P13569 1/20 0.44
CHEK1 O14757 1/20 0.42
MET P08581 1/20 0.42
GSK3B P49841 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KDM4E B2RXH2 9/20 0.39
POLB P06746 1/20 0.39
GAA P10253 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
PRKCZ Q05513 1/20 0.39
TSHR P16473 2/20 0.38

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 SCHEMBL11106673 0.98 ALDH1A1 (0.43) ALDH1A1HSD17B10CFTRCHEK1MET
SCHEMBL13014586 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EPOLBGAA
Hydrochloric Acid SCHEMBL3222319 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EPOLBGAA
SCHEMBL3215283 0.80 TSHR (0.38) ALDH1A1HSD17B10CHEK1METGSK3B
SCHEMBL3211635 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EPOLBKMT2A
SCHEMBL11975682 0.79 KDM4E (0.40) ALDH1A1HSD17B10CFTRCHEK1MET
SCHEMBL23413048 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10CFTRCHEK1MET
SCHEMBL6615690 0.78 KDM4E (0.40) ALDH1A1HSD17B10KDM4EGAAKMT2A
SCHEMBL3199729 0.78 CA2 (0.46) ALDH1A1HSD17B10CFTRCHEK1MET
SCHEMBL3230676 0.77 KDM4E (0.57) ALDH1A1HSD17B10CFTRCHEK1MET

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 5 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

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 2079/4885CFTR 1421/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 ALDH1A1 597/4885HSD17B10 1783/4885CFTR 1679/4885

“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.