SCHEMBL7183237

SCHEMBL7183237

CCOC(=S)N(c1ccc(C=O)cc1)c1ccc(O)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ALDH1A1 P00352 2/20 0.38
ALDH1A3 P47895 3/20 0.38
ALDH3A1 P30838 3/20 0.38
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
MIF P14174 2/20 0.35
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2A13 Q16696 1/20 0.33
APP P05067 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL7187574 0.88 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7192741 0.86 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7183445 0.85 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7195335 0.84 ALDH1A1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL7195148 0.83 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7191778 0.83 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7190159 0.82 ALDH1A3 (0.43) ALDH1A1ALDH1A3ALDH3A1ALDH5A1ABAT
SCHEMBL7190543 0.78 ALDH1A1 (0.40) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL7191776 0.77 ALDH1A1 (0.39) ALDH1A1ALDH1A3ALDH3A1
SCHEMBL7195969 0.76 ALDH1A3 (0.38) ALDH1A1ALDH1A3ALDH3A1

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
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 CA12 3997/4885CA1 1889/4885CA2 1428/4885

“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.