SCHEMBL6153735

SCHEMBL6153735

OCc1cccc(Oc2c[c]ccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TTR P02766 1/20 0.39
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
HSD17B10 Q99714 1/20 0.38
F10 P00742 1/20 0.37
ENPP2 Q13822 1/20 0.37
LMNA P02545 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL23932329 0.83 ST14 (0.43) SMN1; SMN2F10ENPP2
SCHEMBL920050 0.83 ALDH1A1 (0.40) TSHRSMN1; SMN2HSD17B10
SCHEMBL4907042 0.83 LTA4H (0.63) LTA4HTSHRTTRNR1H2NR1H3
SCHEMBL4911820 0.81 IDO1 (0.42) SMN1; SMN2
SCHEMBL6154306 0.79 FFAR1 (0.56)
SCHEMBL358425 0.78 LTA4H (0.67) LTA4HTSHRSMN1; SMN2TTRHSD17B10
SCHEMBL29661187 0.78 LTA4H (0.67) LTA4HTSHRSMN1; SMN2TTRHSD17B10
SCHEMBL8155454 0.78 LTA4H (0.43) LTA4HTSHRSMN1; SMN2NR1H2
SCHEMBL6154747 0.77 CYP3A4 (0.42) LTA4HNR1H2HSD17B10LMNA
SCHEMBL9261806 0.77 MAOB (0.48) LTA4HTSHRSMN1; SMN2NR1H2HSD17B10

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP LTA4H 2659/4885TSHR 1917/4885SMN1; SMN2 2211/4885

“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.