SCHEMBL6780585

SCHEMBL6780585

COCCN(CC(=O)Nc1cc(Cl)c(OC(F)(F)F)cc1C)Cc1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.38
WNT3A P56704 1/20 0.34
HCRTR2 O43614 5/20 0.34
BTK Q06187 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
ROCK2 O75116 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
PTBP1 P26599 1/20 0.32

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
SCHEMBL6780864 0.92 PPARA (0.43) PPARAWNT3AHCRTR2PPARGPPARD
SCHEMBL6780958 0.85 PPARA (0.50) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL6781055 0.85 PPARA (0.36) PPARAPPARGPPARD
SCHEMBL6780618 0.83 PPARA (0.44) PPARAHCRTR2BTKPPARGPPARD
SCHEMBL6778375 0.78 PPARA (0.48) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL6781085 0.78 PPARA (0.46) PPARAHCRTR2PPARGPPARDLMNA
SCHEMBL6778389 0.78 PPARA (0.42) PPARAPPARGPPARD
SCHEMBL6778205 0.78 PPARA (0.40) PPARABTKPPARGPPARDMEN1
SCHEMBL6784330 0.77 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL6774971 0.77 ALDH1A1 (0.36) PPARAHCRTR2PPARGPPARDMEN1

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 5 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
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

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 1/4885WNT3A 3513/4885HCRTR2 2651/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885WNT3A 2707/4885HCRTR2 2834/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG PPARA 2/4885WNT3A 2707/4885HCRTR2 2834/4885

“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.