SCHEMBL6776423

SCHEMBL6776423

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(CCN(CC(=O)O)Cc2ccco2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
PPARA Q07869 10/20 0.39
PPARG P37231 3/20 0.36
PPARD Q03181 2/20 0.36
RIPK1 Q13546 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4879297 0.91 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL6778430 0.89 CA12 (0.37) CA12CA1CA2CA4PPARA
SCHEMBL6779868 0.83 PPARA (0.58) PPARAPPARGPPARDTHRB
SCHEMBL6785081 0.81 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL5224390 0.80 PPARA (0.42) PPARAPPARGPPARDTHRB
SCHEMBL14019436 0.80 PPARA (0.39) PPARAPPARGPPARDRIPK1THRB
SCHEMBL6779592 0.77 CA12 (0.38) CA12CA1CA2CA4PPARA
SCHEMBL6774346 0.77 CA12 (0.48) CA12CA1CA2CA4
SCHEMBL4887402 0.77 MEN1 (0.34) PPARAPPARGPPARD
SCHEMBL6780288 0.76 PPARA (0.48) PPARAPPARGPPARDRIPK1

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 CA12 4176/4885CA1 3958/4885CA2 2613/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG CA12 4472/4885CA1 3791/4885CA2 2520/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG CA12 4472/4885CA1 3791/4885CA2 2520/4885

“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.