SCHEMBL6155461

SCHEMBL6155461

COc1c(Cl)cc(Cl)c(OC)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.50
TPMT P51580 1/20 0.46
TAS1R3 Q7RTX0 4/20 0.45
TAS1R1 Q7RTX1 4/20 0.45
TAS1R2 Q8TE23 4/20 0.45
HPGD P15428 1/20 0.42
TSHR P16473 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 2/20 0.40
PRNP P04156 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39
MAPK10 P53779 1/20 0.39
NCOA2 Q15596 1/20 0.39

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
SCHEMBL1323406 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10GAATPMT
SCHEMBL6155456 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10GAATPMT
SCHEMBL28883701 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10GAATPMT
SCHEMBL20662812 0.77 KDM4E (0.58) ALDH1A1KDM4EHSD17B10GAATAS1R3
SCHEMBL9577000 0.77 PTPN1 (0.41) ALDH1A1KDM4EHSD17B10GAATSHR
SCHEMBL8674361 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10GAATPMT
SCHEMBL28383787 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10GAATPMT
SCHEMBL29541082 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10GAATPMT
SCHEMBL134030 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10GAATPMT
SCHEMBL6781886 0.76 BPTF (0.41) ALDH1A1KDM4EHSD17B10GAATPMT

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 ALDH1A1 961/4885KDM4E 1133/4885HSD17B10 3147/4885

“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.