SCHEMBL6153845

SCHEMBL6153845

Oc1cc(Oc2cccc(C(F)(F)F)c2)cc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.48
P2RY1 P47900 1/20 0.44
EGFR P00533 8/20 0.41
ERBB2 P04626 8/20 0.41
MAPT P10636 2/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ERBB3 P21860 3/20 0.39
ERBB4 Q15303 3/20 0.39
STK39 Q9UEW8 1/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6153748 0.90 GUSB (0.54) GUSBP2RY1EGFRERBB2MAPT
SCHEMBL6153840 0.80 GUSB (0.58) GUSBBLMALDH1A1MEN1KMT2A
SCHEMBL6154359 0.79 GUSB (0.65) GUSBMAPTBLMALDH1A1L3MBTL1
SCHEMBL6154309 0.78 GUSB (0.58) GUSBMAPTBLMALDH1A1L3MBTL1
SCHEMBL6155142 0.78 GUSB (0.60) GUSBBLMALDH1A1MEN1KMT2A
SCHEMBL6153554 0.77 AKR1C3 (0.47) MAPTNPSR1L3MBTL1MEN1KMT2A
SCHEMBL6154575 0.76 GUSB (0.61) GUSBBLMALDH1A1MEN1KMT2A
SCHEMBL6153833 0.76 GUSB (0.48) GUSBP2RY1MAPTBLMALDH1A1
SCHEMBL6155161 0.75 GUSB (0.60) GUSBBLMALDH1A1MEN1KMT2A
SCHEMBL6155284 0.75 GUSB (0.56) GUSBBLMALDH1A1MEN1KMT2A

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 claimed
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 GUSB 2466/4885P2RY1 2072/4885EGFR 1109/4885

“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.