SCHEMBL3285117

SCHEMBL3285117

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
RECQL P46063 1/20 0.41
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
SLC22A12 Q96S37 1/20 0.35
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
DGAT1 O75907 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL12426830 0.83 ALDH1A1 (0.41) SMN1; SMN2RAB9ANPC1CYP2C9TSHR
SCHEMBL2818700 0.81 MAPT (0.42) SMN1; SMN2TSHRKMT2AALDH1A1MAPT
SCHEMBL6359211 0.81 MAPT (0.40) SMN1; SMN2RAB9ANPC1RECQLKMT2A
SCHEMBL6784448 0.81 SMN1; SMN2 (0.38) SMN1; SMN2RAB9ANPC1RECQLCYP2D6
SCHEMBL6364141 0.80 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1RECQLKMT2A
SCHEMBL3284462 0.80 ALDH1A1 (0.46) SMN1; SMN2CYP2C9TSHRCYP2C19KMT2A
SCHEMBL5727003 0.80 CHRNA1 (0.37) SMN1; SMN2RAB9ANPC1RECQLTSHR
SCHEMBL2823545 0.79 CA1 (0.44) SMN1; SMN2RAB9ATSHRKMT2AMEN1
SCHEMBL4884087 0.79 SLC22A12 (0.44) SLC22A12ALDH1A1MAPT
SCHEMBL4877710 0.79 LOXL2 (0.40) SMN1; SMN2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-7528276-B2 Process for preparing the intermediate compounds for PPAR α ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-05-05 US disclosed
US-7528276-B2 Process for preparing the intermediate compounds for PPAR α ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-05-05 US disclosed
US-7528276-B2 Process for preparing the intermediate compounds for PPAR α ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-05-05 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-20080269516-A1 Process for Preparing the Intermediate Compounds for Pparalpha Ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-10-30 US disclosed
US-20080269516-A1 Process for Preparing the Intermediate Compounds for Pparalpha Ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-10-30 US disclosed
US-20080269516-A1 Process for Preparing the Intermediate Compounds for Pparalpha Ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-10-30 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
WO-2003037332-A1 PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-08 WO disclosed
WO-2003035603-A1 ACETIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-05-01 WO disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 WO disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 WO disclosed
EP-1149063-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2001-10-31 EP disclosed
US-6306854-B1 ARYLTHIOALKYLACIDS AND ALKYL UREAS GLAXOSMITHKLINE 2001-10-23 US disclosed
WO-2000023407-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2000-04-27 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 (4 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-20080269516-A1 Process for Preparing the Intermediate Compounds for Pparalpha Ligands PPARG, PPARA, PPARD SMN1; SMN2 4766/4885RAB9A 3368/4885NPC1 551/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG SMN1; SMN2 4633/4885RAB9A 2787/4885NPC1 2557/4885
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 SMN1; SMN2 1291/4885RAB9A 2897/4885NPC1 1055/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD SMN1; SMN2 4364/4885RAB9A 4445/4885NPC1 604/4885

“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.