SCHEMBL6778552

SCHEMBL6778552

COCCN(CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(SC(C)(C)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.46
HPGD P15428 2/20 0.43
PPARG P37231 5/20 0.41
PPARD Q03181 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
POLB P06746 2/20 0.37
NR4A1 P22736 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6781283 0.89 PPARA (0.60) PPARAHPGDPPARGPPARDRAB9A
SCHEMBL6781085 0.84 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL6780961 0.84 PPARA (0.56) PPARAPPARGPPARD
Hydrochloric Acid SCHEMBL6784848 0.84 PPARA (0.49) PPARAHPGDPPARGPPARDTSHR
SCHEMBL6778713 0.81 PPARA (0.43) PPARAHPGDPPARGPPARDTSHR
SCHEMBL6777896 0.81 PPARA (0.58) PPARAHPGDPPARGPPARDMEN1
SCHEMBL6780090 0.81 PPARA (0.42) PPARAHPGDPPARGPPARDRAB9A
SCHEMBL4884303 0.79 TBXAS1 (0.38) PPARAPPARGPPARDRAB9ACYP3A4
SCHEMBL6780864 0.79 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL6781086 0.79 PPARA (0.41) PPARAPPARGPPARDMEN1KMT2A

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 1/4885HPGD 160/4885PPARG 3/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885HPGD 173/4885PPARG 3/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885HPGD 173/4885PPARG 3/4885

“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.