SCHEMBL21991609

SCHEMBL21991609

CCOC(=O)C[C@H](C)Oc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.56
PPARG P37231 1/20 0.56
MAOB P27338 8/20 0.55
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL21991334 1.00 FFAR1 (0.56) FFAR1PPARGMAOBMMEACE
SCHEMBL21992015 1.00 FFAR1 (0.56) FFAR1PPARGMAOBMMEACE
SCHEMBL21991319 0.91 FFAR1 (0.50) FFAR1PPARGMAOBMMEACE
SCHEMBL21991857 0.90 NPC1 (0.44) FFAR1PPARGMAOB
SCHEMBL21991365 0.90 FFAR1 (0.55) FFAR1PPARGMAOBMMEACE
SCHEMBL21991562 0.88 MAOB (0.57) FFAR1PPARGMAOBMMEACE
SCHEMBL21991563 0.87 MAOB (0.56) FFAR1PPARGMAOBMMEACE
SCHEMBL21991566 0.87 MAOB (0.51) FFAR1PPARGMAOBMMEACE
SCHEMBL23605727 0.87 LMNA (0.55) FFAR1MAOBLMNAL3MBTL1HRH3
SCHEMBL23605729 0.87 LMNA (0.55) FFAR1MAOBLMNAL3MBTL1HRH3

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 FFAR1 147/4885PPARG 1583/4885MAOB 3946/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 FFAR1 147/4885PPARG 1583/4885MAOB 3946/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 FFAR1 147/4885PPARG 1583/4885MAOB 3946/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 FFAR1 147/4885PPARG 1583/4885MAOB 3946/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 FFAR1 147/4885PPARG 1583/4885MAOB 3946/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 FFAR1 147/4885PPARG 1583/4885MAOB 3946/4885

“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.