SCHEMBL21991540

SCHEMBL21991540

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
PPARG P37231 4/20 0.37
PPARA Q07869 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
PPARD Q03181 1/20 0.36
PSMB5 P28074 1/20 0.36
SLC6A9 P48067 6/20 0.35
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FFAR1 O14842 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL21991558 0.97 CYP1A1 (0.36) CYP1A1CYP1B1PPARGPPARAALDH1A1
SCHEMBL21991569 0.92 MAOB (0.47) PPARGPPARAPPARDPSMB5FFAR1
SCHEMBL21991902 0.91 NPSR1 (0.43) CYP1A1CYP1B1PPARGPPARAALDH1A1
SCHEMBL21991325 0.88 NPSR1 (0.40) PPARGPPARAALDH1A1MAPTPPARD
SCHEMBL21991905 0.87 ALDH1A1 (0.39) PPARGPPARAALDH1A1MAPTPPARD
SCHEMBL21991300 0.87 NPSR1 (0.39) PPARGPPARAALDH1A1MAPTPSMB5
SCHEMBL21991879 0.86 MTNR1A (0.43) PPARGPPARAMAPT
SCHEMBL21992637 0.85 PPARA (0.40) PPARGPPARAALDH1A1CYP3A4NPSR1
SCHEMBL21992649 0.85 MEN1 (0.38) ALDH1A1MAPT
SCHEMBL21991266 0.84 PPARG (0.43) PPARGPPARAALDH1A1MAPTPSMB5

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 4 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-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 (4 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 CYP1A1 2333/4885CYP1B1 2142/4885PPARG 1583/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 CYP1A1 2333/4885CYP1B1 2142/4885PPARG 1583/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A1 2333/4885CYP1B1 2142/4885PPARG 1583/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A1 2333/4885CYP1B1 2142/4885PPARG 1583/4885

“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.