SCHEMBL6060697

SCHEMBL6060697

COc1ccc(C[C@H](OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.75
PPARD Q03181 16/20 0.75
PPARG P37231 15/20 0.75
PSEN1 P49768 2/20 0.54
PSEN2 P49810 2/20 0.54
APH1B Q8WW43 2/20 0.54
NCSTN Q92542 2/20 0.54
APH1A Q96BI3 2/20 0.54
PSENEN Q9NZ42 2/20 0.54

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
SCHEMBL6060693 1.00 PPARA (0.75) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6494551 0.93 PPARA (0.64) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6502380 0.91 PPARA (0.69) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5549715 0.90 PPARA (0.61) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5554918 0.89 PPARA (0.62) PPARAPPARDPPARG
SCHEMBL6494286 0.89 PPARA (0.62) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6497125 0.88 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL6502352 0.88 PPARA (0.79) PPARAPPARDPPARG
SCHEMBL6496446 0.88 PPARA (0.76) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6496012 0.88 PPARA (0.57) PPARAPPARDPPARG

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-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-10 US claimed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP claimed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US claimed
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-10 US disclosed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 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-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease PPARG, PPARA, NR3C1 PPARA 2/4885PPARD 4/4885PPARG 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.