SCHEMBL6780288

SCHEMBL6780288

CC(C)(C)OC(=O)C(C)(C)Cc1ccc(CN(CC(=O)O)Cc2ccco2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.48
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.44
RIPK1 Q13546 1/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 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
SCHEMBL6785304 0.88 PPARA (0.44) PPARAPPARGPPARDRIPK1TP53
SCHEMBL4879297 0.84 PPARA (0.46) PPARAPPARGPPARDTP53MAPT
SCHEMBL6775521 0.79 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL27431296 0.78 MAPT (0.56) PPARAMAPTPOLB
SCHEMBL6777877 0.78 PPARA (0.74) PPARAPPARGPPARDPOLB
SCHEMBL6778618 0.77 PPARA (0.50) PPARAPPARGPPARDRIPK1POLB
SCHEMBL6783504 0.76 ATM (0.56) MAPTPOLB
SCHEMBL6776423 0.76 CA12 (0.40) PPARAPPARGPPARDRIPK1
SCHEMBL11308537 0.75 ALOX5 (0.56) RIPK1TP53MAPT
SCHEMBL6775457 0.75 NR3C1 (0.40) RIPK1

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-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
CN-1479716-A Propionic acid derivatives with PPAR-alpha activating properties 2004-03-03 CN disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP 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-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG PPARA 1/4885PPARG 3/4885PPARD 2/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 1/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 1/4885

“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.