Sugi Predict

Sugi Predict / Compounds / SCHEMBL67172

SCHEMBL67172

SCHEMBL67172

CC(C)(C)C(NC(=O)O)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ CTSA P10619 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP26A1 O43174 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL2459503 0.81 CPN1 (0.45) ALDH1A1POLBSMN1; SMN2LMNANPC1
SCHEMBL18498972 0.81 HDAC8 (0.51) ALDH1A1HSD17B10IDO1
SCHEMBL15380733 0.79 MAPK1 (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL186787 0.79 HPGDS (0.43) —
SCHEMBL5265186 0.79 MEN1 (0.43) ALDH1A1POLBMAPTSMN1; SMN2MEN1
SCHEMBL9899529 0.79 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL2766240 0.79 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL17923292 0.79 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL66551 0.78 PSEN1 (0.36) CTSA
SCHEMBL3398404 0.77 PDE2A (0.33) POLBSMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022079-B2 Methods of modulating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-09-20 — — US disclosed
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 — — EP 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-7452878-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-18 — — US disclosed
US-7164018-B2 Polymers based on N-carbamyl-N'-dimethylsilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-16 — — US disclosed
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 — — US disclosed
EP-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 — — EP disclosed
US-20040186243-A1 Polymers based on N-carbamyl-N'-dimethylsilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-09-23 — — US disclosed
WO-2004046091-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-03 — — WO disclosed
US-6740712-B2 SILICON LINKERS BASED ON CARBAMYL PIPERAZINE MOIETY; USE IN SOLID PHASE SYNTHESIS OF COMPOUNDS OR LIBRARIES OF COMPOUNDS EMBRACING A PHENYL RING IN THEIR STRUCTURE BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-25 — — US disclosed
EP-1360211-A2 NEW POLYMERS BASED ON N-CARBAMYL-N'-DIMETHYLSILYL METHYL-PIPERAZINE TRACELESS LINKERS FOR THE SOLID PHASE SYNTHESIS OF PHENYL BASED LIBRARIES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 — — EP disclosed
US-20020120072-A1 Polymers based on N-carbamyl-N'-dimethysilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-29 — — US disclosed
WO-2002060960-A2 NEW POLYMERS BASED ON N-CARBAMYL-N'-DIMETHYLSILYL METHYL-PIPERAZINE TRACELESS LINKERS FOR THE SOLID PHASE SYNTHESIS OF PHENYL BASED LIBRARIES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-08 — — 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 (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-20020120072-A1 Polymers based on N-carbamyl-N'-dimethysilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries DOT1L, DNMT3L, SMYD2 ALDH1A1 3153/4885CTSA 4587/4885POLB 1543/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ALDH1A1 531/4885CTSA 889/4885POLB 1370/4885

“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.