SCHEMBL4599445

SCHEMBL4599445

Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1COc1ccc(CS(=O)(=O)CCn2ccnn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
PPARD Q03181 9/20 0.37
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
FFAR1 O14842 4/20 0.36
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
HMOX1 P09601 1/20 0.35
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
THRB P10828 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33

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
SCHEMBL4600322 0.85 ERBB2 (0.56) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4591317 0.85 ERBB2 (0.43) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4600673 0.83 ERBB2 (0.42) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4598672 0.82 ERBB2 (0.41) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4600061 0.78 ERBB2 (0.45) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4602065 0.76 ERBB2 (0.46) ERBB2MINK1PPARDFFAR1ATP4A
SCHEMBL4780494 0.76 ERBB2 (0.46) ERBB2MINK1PPARDPPARGPPARA
SCHEMBL4599925 0.76 ERBB2 (0.50) ERBB2MINK1FFAR1ATP4AATP4B
SCHEMBL4599664 0.75 ERBB2 (0.44) ERBB2MINK1PPARDFFAR1ATP4A
SCHEMBL4591252 0.74 ATP4A (0.37) ERBB2MINK1PPARDFFAR1ATP4A

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-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD ERBB2 2010/4885MINK1 2493/4885PPARD 132/4885

“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.