SCHEMBL698407

SCHEMBL698407

CCCN1C(=O)c2ccccc2S1(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 16/20 1.00
CA12 O43570 15/20 1.00
ALDH1A1 P00352 1/20 0.68
CYP2C19 P33261 1/20 0.68
ELANE P08246 1/20 0.65
CA2 P00918 7/20 0.62
HPGD P15428 1/20 0.61

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
SCHEMBL7903703 0.90 CA9 (1.00) CA9CA12ALDH1A1CYP2C19ELANE
SCHEMBL1758371 0.89 CA9 (1.00) CA9CA12ALDH1A1CYP2C19ELANE
SCHEMBL14560535 0.87 CA9 (0.97) CA9CA12ALDH1A1CYP2C19ELANE
Hydrogen Sulfide SCHEMBL28848798 0.87 CA9 (0.97) CA9CA12ALDH1A1CYP2C19ELANE
SCHEMBL29621871 0.87 CA9 (0.97) CA9CA12ALDH1A1CYP2C19ELANE
SCHEMBL30834902 0.86 CA12 (1.00) CA9CA12ALDH1A1CYP2C19ELANE
SCHEMBL1101896 0.86 CA12 (1.00) CA9CA12ALDH1A1CYP2C19ELANE
SCHEMBL27182867 0.83 CA9 (0.70) CA9CA12ALDH1A1CYP2C19ELANE
SCHEMBL9831972 0.83 CA12 (0.71) CA9CA12ALDH1A1CYP2C19ELANE
SCHEMBL30872949 0.83 CA12 (0.71) CA9CA12ALDH1A1CYP2C19ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852607-B1 SYNTHESIS OF STEROID SAPONINS ONCOLOGY RES INTERNATIONAL LIMITED (AU) 2018-10-24 EP disclosed
US-20150105543-A1 SYNTHESIS ONCOLOGY RESEARCH INTERNATIONAL LIMITED (AU) 2015-04-16 US disclosed
EP-2852607-A1 IMPROVED SYNTHESIS Oncology Research International Limited (AU) 2015-04-01 EP disclosed
EP-2423260-B1 PROCESS FOR PRODUCING PLASTIC BOTTLE ADEKA CORP (JP) 2013-12-04 EP disclosed
WO-2013173862-A1 IMPROVED SYNTHESIS ONCOLOGY RESEARCH INTERNATIONAL LIMITED (AU) 2013-11-28 WO disclosed
EP-2423260-A1 PROCESS FOR PRODUCING PLASTIC BOTTLE Adeka Corporation (JP) 2012-02-29 EP 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-20150105543-A1 SYNTHESIS CYP17A1, CYP21A2, CYP11A1 CA9 1536/4885CA12 610/4885ALDH1A1 3836/4885

“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.