SCHEMBL5113765

SCHEMBL5113765

O=C(O)c1ccc(CCSc2ccc3c(c2)/C(=N/NC(=O)N2CCOCC2)C(=O)N3CCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.44
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MCL1 Q07820 8/20 0.37
BCL2A1 Q16548 8/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 2/20 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
SCHEMBL5110932 1.00 PARK7 (0.44) PARK7HDAC10HDAC8HDAC6MCL1
SCHEMBL5114870 0.93 PARK7 (0.36) PARK7HDAC10HDAC8HDAC6MCL1
SCHEMBL5126102 0.93 PARK7 (0.36) PARK7HDAC10HDAC8HDAC6MCL1
SCHEMBL5113800 0.93 PARK7 (0.38) PARK7HDAC10HDAC8HDAC6CA1
SCHEMBL5113796 0.93 PARK7 (0.38) PARK7HDAC10HDAC8HDAC6CA1
SCHEMBL5117177 0.92 ALDH1A1 (0.38) PARK7HDAC10HDAC8HDAC6MCL1
SCHEMBL5117181 0.92 ALDH1A1 (0.38) PARK7HDAC10HDAC8HDAC6MCL1
SCHEMBL5116900 0.91 THRB (0.38) PARK7HDAC10HDAC8HDAC6MCL1
SCHEMBL5116901 0.91 THRB (0.38) PARK7HDAC10HDAC8HDAC6MCL1
SCHEMBL5118475 0.90 THRB (0.39) PARK7ALDH1A1

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-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
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
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 2430/4885HDAC10 668/4885HDAC8 967/4885

“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.