SCHEMBL21991975

SCHEMBL21991975

COC(=O)[C@@H](C)[C@H](C)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
ALDH1A1 P00352 1/20 0.41
KIF11 P52732 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
SLC6A9 P48067 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
PTPN5 P54829 1/20 0.39

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
SCHEMBL21992739 1.00 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL21991610 1.00 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL21991989 1.00 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL21991806 1.00 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL21991874 0.96 MAPK14 (0.41) PPARGPPARANOS3NOS1NOS2
SCHEMBL21991291 0.88 MAOB (0.57) PPARGMAOB
SCHEMBL21991851 0.86 PPARG (0.43) PPARGPPARAALDH1A1KIF11CYP3A4
SCHEMBL21992522 0.85 POLB (0.46) PPARGPPARASLC6A9CYP1A1CYP1B1
SCHEMBL21991254 0.84 PPARA (0.52) PPARGPPARAKIF11CYP3A4CYP3A5
SCHEMBL11484702 0.84 KMT2A (0.48) PPARGPPARANOS3NOS1NOS2

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 806/4885NOS3 870/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885NOS3 870/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885NOS3 870/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885NOS3 870/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885NOS3 870/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885NOS3 870/4885

“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.