SCHEMBL66552

SCHEMBL66552

CC(C)(C)N(Cc1cccc(-c2cnc(Br)nc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AOC3 Q16853 12/20 0.41
PTGES O14684 1/20 0.41
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL16912781 0.88 CYP4F2 (0.43) CYP4F2CYP4A11MEN1KMT2ALMNA
SCHEMBL69067 0.82 MEN1 (0.42) CYP4F2CYP4A11MEN1KMT2ALMNA
SCHEMBL2952041 0.80 HSD17B1 (0.52) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL2957633 0.79 HSD17B1 (0.51) MEN1KMT2ALMNAHTTL3MBTL1
SCHEMBL67173 0.78 RIPK1 (0.56) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL2696068 0.78 FFAR1 (0.48) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL1749307 0.76 MEN1 (0.42) CYP4F2CYP4A11MEN1KMT2ALMNA
SCHEMBL2177213 0.76 MEN1 (0.47) MEN1KMT2ALMNAHTTL3MBTL1
SCHEMBL2951807 0.74 MEN1 (0.48) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL8773482 0.74 MEN1 (0.69) MEN1KMT2ALMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RES & DEV (FR) 2013-11-14 US disclosed
US-8129416-B2 Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-06 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-31 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 (2 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-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA CYP4F2 457/4885CYP4A11 233/4885MEN1 4774/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA CYP4F2 427/4885CYP4A11 257/4885MEN1 4710/4885

“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.