SCHEMBL6856728

SCHEMBL6856728

Cc1cc(SCC(=O)O)cc(C)c1Cc1ccc(O)c(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
PKM P14618 1/20 0.37
HK1 P19367 1/20 0.37
MCL1 Q07820 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6854588 0.86 MMP1 (0.46) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL6852990 0.82 THRB (0.58) THRATHRBALDH1A1
SCHEMBL6854042 0.82 THRA (0.40) PTGDR2MMP1MMP2MMP3MMP9
SCHEMBL6854843 0.82 THRA (0.41) THRATHRBALDH1A1GAAKEAP1
SCHEMBL6854271 0.80 PPARA (0.40) PTGDR2THRATHRBALDH1A1GAA
SCHEMBL7569701 0.77 GAA (0.41) ALDH1A1GAAL3MBTL1LMNA
SCHEMBL6849586 0.70 OPRK1 (0.42) KEAP1NFE2L2L3MBTL1LMNASMN1; SMN2
SCHEMBL6856861 0.68 THRB (0.51) THRATHRBKEAP1NFE2L2
SCHEMBL24132906 0.68 THRB (0.60) THRATHRB
SCHEMBL30286073 0.68 THRB (0.60) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777442-B2 Diphenyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
US-20030105078-A1 Diphenyl derivatives BAYER AKTIENGESSELLSCHAFT (DE) 2003-06-05 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-20030105078-A1 Diphenyl derivatives DPP4, DPP3, DPM1 PTGDR2 170/4885MMP1 2658/4885MMP2 2582/4885

“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.