SCHEMBL4265257

SCHEMBL4265257

CC(C)(Sc1ccc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)NC2CCCCC2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 1.00
PPARG P37231 12/20 1.00
PPARD Q03181 6/20 1.00
ALDH1A1 P00352 2/20 0.76
CYP3A4 P08684 2/20 0.76
GMNN O75496 1/20 0.76
USP2 O75604 1/20 0.76
USP1 O94782 1/20 0.76
LMNA P02545 1/20 0.76
TP53 P04637 1/20 0.76
CYP1A2 P05177 1/20 0.76
POLB P06746 1/20 0.76
CYP2D6 P10635 1/20 0.76
MAPT P10636 1/20 0.76
CYP2C9 P11712 1/20 0.76
ALOX15 P16050 1/20 0.76
NFKB1 P19838 1/20 0.76
MAPK1 P28482 1/20 0.76
CYP2C19 P33261 1/20 0.76
BRCA1 P38398 1/20 0.76

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
Gw7647 SCHEMBL361372 0.87 PPARA (1.00) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL22100299 0.86 PPARA (0.98) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL6552333 0.84 PPARA (0.73) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL4269105 0.80 PPARA (0.65) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL21569126 0.77 PPARA (0.63) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL6552622 0.76 PPARA (0.80) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL6553673 0.74 PPARA (0.59) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL16147851 0.73 PPARA (1.00) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL16147204 0.70 PPARA (1.00) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL16147225 0.70 PPARA (1.00) PPARAPPARGPPARDALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569640-A4 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-ALPHA AGONISTS AND CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THERAPEUTIC USES THEREFOR PHARMACIA CORP (US) 2006-06-21 EP claimed
EP-1569640-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-ALPHA AGONISTS AND CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THERAPEUTIC USES THEREFOR Pharmacia Corporation (US) 2005-09-07 EP claimed
EP-1149063-B1 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP claimed
US-20030212138-A1 Combinations of peroxisome proliferator-activated receptor-alpha agonists and cyclooxygenase-2 selective inhibitors and therapeutic uses therefor PHARMACIA CORPORATION (US) 2003-11-13 US claimed
WO-2003059294-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-ALPHA AGONISTS AND CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THERAPEUTIC USES THEREFOR PHARMACIA CORPORATION (US) 2003-07-24 WO claimed
EP-1149063-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2001-10-31 EP claimed
US-6306854-B1 ARYLTHIOALKYLACIDS AND ALKYL UREAS GLAXOSMITHKLINE 2001-10-23 US claimed
WO-2000023407-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2000-04-27 WO claimed
US-20090082435-A1 Methods, Compositions, And Compounds For Modulation Of Monoacylglycerol Lipase, Pain, And Stress-Related Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-03-26 US disclosed
US-20080103209-A1 Compounds And Methods For Treating Non-Inflammatory Pain Using Ppar Alpha Agonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-01 US disclosed
EP-1742626-A2 COMPOUNDS AND METHODS FOR TREATING NON-INFLAMMATORY PAIN USING PPARALPHA AGONISTS The Regents of The University of California (US) 2007-01-17 EP disclosed
WO-2006116773-A2 METHODS, COMPOSITIONS, AND COMPOUNDS FOR MODULATION OF MONOACYLGLYCEROL LIPASE, PAIN, AND STRESS-RELATED DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-02 WO disclosed
EP-1569640-A4 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-ALPHA AGONISTS AND CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THERAPEUTIC USES THEREFOR PHARMACIA CORP (US) 2006-06-21 EP disclosed
WO-2005115370-A2 COMPOUNDS AND METHODS FOR TREATING NON-INFLAMMATORY PAIN USING PPARALPHA AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-08 WO disclosed
EP-1149063-B1 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
US-20030212138-A1 Combinations of peroxisome proliferator-activated receptor-alpha agonists and cyclooxygenase-2 selective inhibitors and therapeutic uses therefor PHARMACIA CORPORATION (US) 2003-11-13 US disclosed
WO-2003059294-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-ALPHA AGONISTS AND CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THERAPEUTIC USES THEREFOR PHARMACIA CORPORATION (US) 2003-07-24 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 (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-20030212138-A1 Combinations of peroxisome proliferator-activated receptor-alpha agonists and cyclooxygenase-2 selective inhibitors and therapeutic uses therefor PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PPARD 3/4885
US-20080103209-A1 Compounds And Methods For Treating Non-Inflammatory Pain Using Ppar Alpha Agonists FAAH, CNR2, FAAH2 PPARA 5/4885PPARG 6/4885PPARD 7/4885
US-20090082435-A1 Methods, Compositions, And Compounds For Modulation Of Monoacylglycerol Lipase, Pain, And Stress-Related Disorders MGLL, PNLIP, LIPC PPARA 703/4885PPARG 330/4885PPARD 1105/4885

“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.