SCHEMBL6780478

SCHEMBL6780478

COc1ccc(NC(=O)CN(Cc2ccc(SC(C)(C)C(=O)O)cc2)Cc2cccs2)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.67
PPARG P37231 3/20 0.48
PPARD Q03181 2/20 0.48
USP2 O75604 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCRTR2 O43614 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40

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
SCHEMBL6778575 0.85 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL6784872 0.85 PPARA (0.56) PPARAPPARGPPARDMEP1AMEP1B
SCHEMBL6780961 0.84 PPARA (0.56) PPARAPPARGPPARDHCRTR2
SCHEMBL6780599 0.83 PPARA (0.58) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL6780604 0.83 PPARA (0.53) PPARAPPARGPPARDMEP1AMEP1B
SCHEMBL6781340 0.82 PPARA (0.56) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL6780483 0.80 PPARA (0.52) PPARAPPARGPPARDMEP1AMEP1B
SCHEMBL6775045 0.78 PPARA (0.78) PPARAPPARGPPARDUSP2MEN1
SCHEMBL6784831 0.77 PPARA (0.68) PPARAPPARGPPARDKMT2A
SCHEMBL6780891 0.77 PPARA (0.60) PPARAPPARGPPARD

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.