SCHEMBL5117157

SCHEMBL5117157

COC(=O)c1ccc(CCSc2ccc3c(c2)C(=NN(C=O)Nc2ccc(F)cc2)C(=O)N3CCc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
AGTR1 P30556 1/20 0.34
GAA P10253 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 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
SCHEMBL5110046 0.87 PARK7 (0.39) PARK7MCL1BCL2A1SMN1; SMN2ALDH1A1
SCHEMBL5117168 0.83 PARK7 (0.39) PARK7MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5126043 0.78 PARK7 (0.60) PARK7LMNAALDH1A1MAPTKDM4E
SCHEMBL14287335 0.78 MAPT (0.42) PARK7MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5117649 0.78 MAPT (0.42) PARK7MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5117655 0.78 MAPT (0.42) PARK7MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5110054 0.76 PARK7 (0.40) PARK7MCL1BCL2A1SMN1; SMN2ALDH1A1
SCHEMBL5114499 0.76 PARK7 (0.40) PARK7MCL1BCL2A1SMN1; SMN2ALDH1A1
SCHEMBL14287339 0.76 PARK7 (0.44) PARK7MEN1KMT2AMCL1BCL2A1
SCHEMBL5114732 0.76 PARK7 (0.44) PARK7MEN1KMT2AMCL1BCL2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA PARK7 2430/4885MEN1 4750/4885KMT2A 3299/4885

“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.