SCHEMBL16019335

SCHEMBL16019335

COCCOc1c(S(C)(=O)=O)ccc(C(C)(C)C)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.32
PTGS2 P35354 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL7962687 0.84 ALDH1A1 (0.46) MAPK1HTTALDH1A1LMNA
SCHEMBL16019382 0.84 ALDH1A1 (0.46) MAPK1HTTALDH1A1LMNA
SCHEMBL7962617 0.82 ALDH1A1 (0.41) MAPK1HTTALDH1A1
SCHEMBL16021172 0.82 ALDH1A1 (0.39) MAPK1HTTALDH1A1PTGS2
SCHEMBL7976409 0.81 ALDH1A1 (0.35) MAPK1HTTALDH1A1KDM4E
SCHEMBL7976218 0.78 PRKAB2 (0.37) MAPK1ALDH1A1LMNA
SCHEMBL1038478 0.77 ALDH1A1 (0.36) MAPK1HTTALDH1A1
SCHEMBL9375326 0.76 TSHR (0.47) ALDH1A1KDM4E
SCHEMBL27841903 0.74 PTGS2 (0.32) ALDH1A1LMNAKDM4EPTGS2
SCHEMBL7972601 0.73 ALDH1A1 (0.49) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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 (1 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 MAPK1 1853/4885HTT 3989/4885ALDH1A1 861/4885

“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.