SCHEMBL5230827

SCHEMBL5230827

CCOC(=O)c1ccc(S)c(C(=O)OCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.57
CA1 P00915 6/20 0.57
CA2 P00918 6/20 0.57
CA9 Q16790 6/20 0.57
CA7 P43166 5/20 0.57
CA14 Q9ULX7 5/20 0.57
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HSD17B2 P37059 1/20 0.51
HCRTR1 O43613 2/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL20928662 0.92 HRH3 (0.51) CA12CA1CA2CA9CA7
SCHEMBL20929028 0.90 CA12 (0.54) CA12CA1CA2CA9CA7
SCHEMBL2453339 0.84 TSHR (0.53) CA12CA1CA2CA9CA7
SCHEMBL11805285 0.84 CA12 (0.59) CA12CA1CA2CA9CA7
SCHEMBL29843135 0.84 CA12 (0.62) CA12CA1CA2CA9CA7
SCHEMBL321387 0.84 CA12 (0.62) CA12CA1CA2CA9CA7
SCHEMBL3303156 0.81 MAPK1 (0.55) CA12CA1CA2CA9CA7
SCHEMBL485764 0.81 TSHR (0.55) CA12CA1CA2CA9CA7
SCHEMBL1238438 0.81 CA12 (0.56) CA12CA1CA2CA9CA7
SCHEMBL10570974 0.81 CA12 (0.74) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262181-B1 USE OF ISOTHIAZOLE DERIVATIVES AS UREASE INHIBITORS FOR THE TREATMENT OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES OTSUKA PHARMA CO LTD (JP) 2007-05-16 EP disclosed
US-20040058952-A1 Urease inhibitors OTSUKA PHARMACEUTICAL CO., LTD. 2004-03-25 US disclosed
US-20030060482-A1 Urease inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
EP-1262181-A1 UREASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 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 (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-20030060482-A1 Urease inhibitors PGC, SLC14A1, USP1 CA12 2815/4885CA1 1482/4885CA2 1356/4885
US-20040058952-A1 Urease inhibitors PGC, SLC14A1, USP1 CA12 2815/4885CA1 1482/4885CA2 1356/4885

“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.