SCHEMBL6651328

SCHEMBL6651328

CC(C)O[C@@H](Cc1cccc(C[C@@H](F)COc2ccc(Cl)cc2C#N)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.44
PPARG P37231 7/20 0.44
XDH P47989 3/20 0.39
SLC22A12 Q96S37 1/20 0.39
PPARD Q03181 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
NOS2 P35228 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL4335605 1.00 PPARA (0.44) PPARAPPARGXDHSLC22A12PPARD
SCHEMBL4335606 1.00 PPARA (0.44) PPARAPPARGXDHSLC22A12PPARD
SCHEMBL4339362 0.92 PPARA (0.42) PPARAPPARGXDHSLC22A12PPARD
SCHEMBL2866321 0.92 PPARA (0.42) PPARAPPARGXDHSLC22A12PPARD
SCHEMBL4327670 0.92 PPARA (0.42) PPARAPPARGXDHSLC22A12PPARD
SCHEMBL4336482 0.88 PPARA (0.53) PPARAPPARGPPARDMRGPRX4
SCHEMBL6651371 0.88 PPARA (0.53) PPARAPPARGPPARDMRGPRX4
SCHEMBL4336480 0.88 PPARA (0.53) PPARAPPARGPPARDMRGPRX4
SCHEMBL4330032 0.85 PPARA (0.42) PPARAPPARGXDHSLC22A12PPARD
SCHEMBL4328397 0.85 PPARA (0.42) PPARAPPARGXDHSLC22A12PPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (1 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PPARA 339/4885PPARG 379/4885XDH 135/4885

“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.