SCHEMBL67159

SCHEMBL67159

COC(=O)/C=C/c1ncc(-c2cccc(NCC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGLN1 Q9GZT9 4/20 0.37
MAPT P10636 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CCNT1 O60563 1/20 0.36
CTSK P43235 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
VEGFA P15692 2/20 0.35
FLT1 P17948 2/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
PORCN Q9H237 1/20 0.35
CDK8 P49336 2/20 0.34
CYP17A1 P05093 1/20 0.34
XPO1 O14980 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 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
SCHEMBL67160 1.00 KDM4E (0.38) KDM4EKMT2ASMN1; SMN2EGLN1MAPT
SCHEMBL68282 0.80 KMT2A (0.42) KDM4EKMT2ASMN1; SMN2MAPTCYP4F2
SCHEMBL68281 0.80 KMT2A (0.42) KDM4EKMT2ASMN1; SMN2MAPTCYP4F2
SCHEMBL66820 0.79 EGLN1 (0.40) EGLN1MAPTLIPGCCNT1CTSK
SCHEMBL68791 0.76 TTR (0.39) KDM4EMAPTCCNT1
SCHEMBL1433839 0.71 MEN1 (0.47) KDM4EKMT2ASMN1; SMN2MAPTCCNT1
SCHEMBL9133529 0.70 MTNR1A (0.55) KMT2ASMN1; SMN2MAPT
SCHEMBL3763507 0.70 VSIR (0.53) KMT2AMAPTFPR3FPR2
SCHEMBL12121617 0.70 MAPT (0.55) KDM4EKMT2AMAPT
SCHEMBL7429994 0.69 CASR (0.52) KMT2ASMN1; SMN2MAPTCYP4F2CYP4A11

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 8 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-8513297-B2 Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US disclosed
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-17 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
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO 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 (3 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 KDM4E 4032/4885KMT2A 3488/4885SMN1; SMN2 4797/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA KDM4E 3263/4885KMT2A 3225/4885SMN1; SMN2 4790/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA KDM4E 3263/4885KMT2A 3225/4885SMN1; SMN2 4790/4885

“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.