SCHEMBL3199571

SCHEMBL3199571

CCc1scc(C(=O)OC)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 4/20 0.42
CFTR P13569 1/20 0.42
GAA P10253 5/20 0.40
TSHR P16473 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
CHEK1 O14757 1/20 0.40
MET P08581 1/20 0.40
GSK3B P49841 1/20 0.40
LIMK1 P53667 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
LMNA P02545 2/20 0.39
CASP1 P29466 2/20 0.39

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 SCHEMBL11107107 0.98 KDM4E (0.42) KDM4EKMT2AALDH1A1HSD17B10CFTR
SCHEMBL3216608 0.86 KDM4E (0.44) KDM4EKMT2AALDH1A1HSD17B10CFTR
Hydrochloric Acid SCHEMBL11104467 0.85 KDM4E (0.43) KDM4EKMT2AALDH1A1HSD17B10CFTR
SCHEMBL3211264 0.84 GAA (0.51) KMT2AALDH1A1HSD17B10GAATSHR
SCHEMBL11110073 0.83 KDM4E (0.43) KDM4EKMT2AALDH1A1HSD17B10CFTR
Hydrochloric Acid SCHEMBL11108092 0.83 ALDH1A1 (0.50) KDM4EKMT2AALDH1A1HSD17B10GAA
SCHEMBL9724742 0.82 KDM4E (0.42) KDM4EKMT2AALDH1A1HSD17B10CFTR
Hydrochloric Acid SCHEMBL11110068 0.82 KDM4E (0.42) KDM4EKMT2AALDH1A1HSD17B10CFTR
SCHEMBL3084169 0.81 GABRP (0.40) KDM4EKMT2AALDH1A1HSD17B10GAA
SCHEMBL3220413 0.81 ALDH1A1 (0.50) KDM4EKMT2AALDH1A1HSD17B10GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4428963-A ANTILIPEMIC, ANTIOBESITY HOFFMANN-LA ROCHE INC. (US) 1984-01-31 US claimed
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-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 (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 KDM4E 812/4885KMT2A 1752/4885ALDH1A1 975/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 KDM4E 627/4885KMT2A 1327/4885ALDH1A1 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.