SCHEMBL6784863

SCHEMBL6784863

COCCN(CC(=O)Nc1ccc(C(C)C)cc1C(F)(F)F)Cc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.55
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
HCRTR2 O43614 3/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 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
Hydrochloric Acid SCHEMBL6779016 0.99 PPARA (0.54) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL6779567 0.91 PPARA (0.45) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL6784261 0.89 PPARA (0.57) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL6784803 0.86 PPARA (0.41) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL6778821 0.84 PPARA (0.54) PPARAPPARGPPARDALDH1A1MEN1
Hydrochloric Acid SCHEMBL6783867 0.83 PPARA (0.53) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL6778672 0.82 PPARA (0.51) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL6774710 0.82 PPARA (0.51) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL6774971 0.81 ALDH1A1 (0.36) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL6780911 0.80 PPARA (0.47) PPARAPPARGPPARDALDH1A1MEN1

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 7 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
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.