SCHEMBL5041179

SCHEMBL5041179

C[S+]([O-])c1ccc(C=Cc2nc(CCl)co2)cc1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.40

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
SCHEMBL5041176 1.00 ERBB2 (0.40) ERBB2
SCHEMBL5046763 0.83 ERBB2 (0.45) ERBB2
SCHEMBL5046761 0.83 ERBB2 (0.45) ERBB2
SCHEMBL6579991 0.81 ERBB2 (0.55) ERBB2
SCHEMBL6579995 0.81 ERBB2 (0.55) ERBB2
SCHEMBL4056631 0.80 ERBB2 (0.56) ERBB2
SCHEMBL4056632 0.80 ERBB2 (0.56) ERBB2
SCHEMBL4504715 0.80 ERBB2 (0.44) ERBB2
SCHEMBL4504713 0.80 ERBB2 (0.44) ERBB2
SCHEMBL6586055 0.79 ERBB2 (0.42) ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405231-B2 Anticancer agents; inhibitors of the HER-signaling pathway with decreased toxicity, better solubility and improved pharmacokinetic profile; e.g. 1-[4-(4-(2-[(E)-2-(4-Methanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy)-phenyl)-butyl]-1H-[1,2,3]triazole HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
CN-1930156-A Oxidized thioether derivatives of styryl-azoles and their use as HER tyrosine kinases inhibitors HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1725551-A1 OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005095393-A1 OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO disclosed
US-20050203064-A1 Novel oxidized thioether derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 US 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-20050203064-A1 Novel oxidized thioether derivatives SULT1E1, CYP4F3, GPX4 ERBB2 619/4885

“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.