SCHEMBL21992693

SCHEMBL21992693

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.44
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
SLC6A9 P48067 5/20 0.40
PTPN5 P54829 1/20 0.40
MAOB P27338 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KIF11 P52732 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAPT P10636 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL21991600 0.96 PPARG (0.41) PPARAPPARGCYP3A4CYP3A5SLC6A9
SCHEMBL21992006 0.90 MAOB (0.55) PPARAPPARGMAOBFFAR1
SCHEMBL21991951 0.87 PPARG (0.45) PPARAPPARGCYP3A4SLC6A9MAOB
SCHEMBL21991294 0.87 PPARG (0.45) PPARAPPARGCYP3A4CYP3A5SLC6A9
SCHEMBL21991316 0.85 MAPT (0.47) PPARAPPARGALDH1A1MAPT
SCHEMBL21991568 0.84 NOS3 (0.44) PPARAPPARGSLC6A9MAOBCYP1A1
SCHEMBL21991971 0.84 PPARG (0.50) PPARAPPARGCYP3A4SLC6A9FFAR1
SCHEMBL21991928 0.84 NPC1 (0.46) PPARAPPARGALDH1A1MAPT
SCHEMBL21991345 0.82 LDHA (0.44) PPARAPPARGALDH1A1MAPT
SCHEMBL21991987 0.82 KMT2A (0.45) PPARAPPARGCYP3A4MAPT

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 806/4885PPARG 1583/4885CYP3A4 681/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885PPARG 1583/4885CYP3A4 681/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885PPARG 1583/4885CYP3A4 681/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885PPARG 1583/4885CYP3A4 681/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885PPARG 1583/4885CYP3A4 681/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885PPARG 1583/4885CYP3A4 681/4885

“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.