SCHEMBL21991863

SCHEMBL21991863

CC(CC(=O)O)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
PPARA Q07869 2/20 0.51
SLC6A9 P48067 5/20 0.49
FFAR1 O14842 7/20 0.48
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL21991923 0.95 FNTA (0.51) PPARGPPARASLC6A9FFAR1FNTA
SCHEMBL21991317 0.89 FFAR1 (0.64) PPARGPPARAFFAR1PTGDR2HRH3
SCHEMBL21991971 0.86 PPARG (0.50) PPARGPPARASLC6A9FFAR1FNTA
SCHEMBL3142278 0.85 SMN1; SMN2 (0.56) SLC6A9FFAR1ALDH1A1MEN1ALOX15
SCHEMBL21992648 0.84 PPARG (0.46) PPARGPPARASLC6A9ALDH1A1SLC6A4
SCHEMBL21991294 0.83 PPARG (0.45) PPARGPPARASLC6A9ALDH1A1CYP3A4
SCHEMBL9818994 0.83 PPARG (0.56) PPARGPPARASLC6A9ALDH1A1KDM4E
SCHEMBL21992010 0.82 FNTA (0.50) PPARGPPARASLC6A9FFAR1FNTA
SCHEMBL21991857 0.82 NPC1 (0.44) PPARGPPARASLC6A9FFAR1KDM4E
SCHEMBL10690637 0.82 PPARG (0.44) PPARGPPARASLC6A9FFAR1SLC6A4

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 PPARG 1583/4885PPARA 806/4885SLC6A9 620/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885SLC6A9 620/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885SLC6A9 620/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885SLC6A9 620/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885SLC6A9 620/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885SLC6A9 620/4885

“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.