SCHEMBL21991909

SCHEMBL21991909

CC(C)(COc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.60
DGAT1 O75907 8/20 0.56
PPARD Q03181 2/20 0.50
MAOB P27338 2/20 0.50
PPARG P37231 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
MDH1 P40925 1/20 0.46
MDH2 P40926 1/20 0.46

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
SCHEMBL21992678 0.95 PPARA (0.56) PPARADGAT1PPARDMAOBPPARG
SCHEMBL21991326 0.91 MAOB (0.64) PPARAPPARDMAOBPPARGMRGPRX4
SCHEMBL21991302 0.84 ALDH1A1 (0.51) PPARADGAT1PPARDMAOBPPARG
SCHEMBL21991977 0.84 PPARA (0.73) PPARADGAT1PPARDMAOBPPARG
SCHEMBL21748731 0.83 DGAT1 (0.52) PPARADGAT1MAOBSMN1; SMN2
SCHEMBL21991304 0.81 NPC1 (0.51) PPARAPPARDMAOBPPARGALDH1A1
SCHEMBL21991543 0.81 PPARA (0.57) PPARADGAT1ALDH1A1SMN1; SMN2
SCHEMBL13948414 0.81 CYP2C9 (0.61) PPARADGAT1PPARGSMN1; SMN2
SCHEMBL5724626 0.80 PPARA (0.58) PPARADGAT1PPARG
SCHEMBL21991914 0.80 PPARA (0.45) PPARADGAT1PPARDMAOBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885DGAT1 525/4885PPARD 760/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885DGAT1 525/4885PPARD 760/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885DGAT1 525/4885PPARD 760/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885DGAT1 525/4885PPARD 760/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885DGAT1 525/4885PPARD 760/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885DGAT1 525/4885PPARD 760/4885

“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.