SCHEMBL21991600

SCHEMBL21991600

CC(C)OC(=O)CC(C)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 1/20 0.39
FPR2 P25090 1/20 0.39
SCN9A Q15858 1/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
SLC6A9 P48067 1/20 0.38
PTPN5 P54829 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
MAOB P27338 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
SCHEMBL21992693 0.96 PPARA (0.44) PPARGPPARACYP3A4CYP3A5SLC6A9
SCHEMBL21991999 0.88 FNTA (0.43) PPARGPPARAFNTAFNTBMEN1
SCHEMBL21991900 0.88 PPARG (0.42) PPARGPPARAFNTAFNTBMEN1
SCHEMBL21992006 0.87 MAOB (0.55) PPARGPPARAMAOB
SCHEMBL21992012 0.86 NOS3 (0.41) PPARGPPARAFNTAFNTBMAOB
SCHEMBL21992010 0.85 FNTA (0.50) PPARGPPARAFNTAFNTBMEN1
SCHEMBL21991598 0.84 KMT2A (0.42) PPARGPPARAMEN1KMT2ACYP3A4
SCHEMBL21991294 0.83 PPARG (0.45) PPARGPPARACYP3A4CYP3A5SLC6A9
SCHEMBL21991951 0.83 PPARG (0.45) PPARGPPARAMEN1KMT2ACYP3A4
SCHEMBL10999754 0.82 PPARG (0.40) PPARGPPARAFNTAFNTBMEN1

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 806/4885FNTA 1687/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885FNTA 1687/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885FNTA 1687/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885FNTA 1687/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885FNTA 1687/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885FNTA 1687/4885

“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.