SCHEMBL5117661

SCHEMBL5117661

COC(=O)c1ccc(CCSc2ccc3c(c2)C(=NNC(=O)Nc2ccccc2Cl)C(=O)N3CCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PARK7 Q99497 2/20 0.38
CA1 P00915 2/20 0.36
CA4 P22748 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 3/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 3/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 2/20 0.35
AGTR1 P30556 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5117657 1.00 MEN1 (0.39) MEN1KMT2APARK7CA1CA4
SCHEMBL5110708 0.93 PARK7 (0.44) MEN1KMT2APARK7CA1CA4
SCHEMBL5110704 0.93 PARK7 (0.44) MEN1KMT2APARK7CA1CA4
SCHEMBL5123434 0.90 MRGPRX4 (0.36) PARK7CA9CA2MCL1BCL2A1
SCHEMBL5123438 0.90 MRGPRX4 (0.36) PARK7CA9CA2MCL1BCL2A1
SCHEMBL14287341 0.90 MRGPRX4 (0.36) PARK7CA9CA2MCL1BCL2A1
SCHEMBL5113891 0.90 MAPT (0.38) MEN1KMT2APARK7CA1CA12
SCHEMBL14287340 0.90 MAPT (0.38) MEN1KMT2APARK7CA1CA12
SCHEMBL5117700 0.89 PARK7 (0.39) MEN1KMT2APARK7CA1CA4
SCHEMBL5117699 0.89 PARK7 (0.39) MEN1KMT2APARK7CA1CA4

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 claimed
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 MEN1 4750/4885KMT2A 3299/4885PARK7 2430/4885

“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.