SCHEMBL21991983

SCHEMBL21991983

CC(COc1ccc(C(F)(F)F)cc1)C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
ALDH1A1 P00352 1/20 0.47
PPARD Q03181 5/20 0.46
PPARA Q07869 3/20 0.46
PPARG P37231 3/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MMP13 P45452 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PSMB5 P28074 1/20 0.44
FFAR1 O14842 2/20 0.43

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
SCHEMBL21991962 0.96 MEN1 (0.46) MAOBALDH1A1PPARDPPARAPPARG
SCHEMBL21992726 0.92 MAOB (0.60) MAOBPPARDPPARAPPARGMME
SCHEMBL21991581 0.85 ALDH1A1 (0.48) MAOBALDH1A1PPARDMMEACE
SCHEMBL16379339 0.84 PPARA (0.49) MAOBALDH1A1PPARDPPARAPPARG
SCHEMBL21991930 0.84 PPARD (0.49) MAOBALDH1A1PPARDPPARAPPARG
SCHEMBL21992697 0.84 MAOB (0.44) MAOBALDH1A1PPARDPPARAPPARG
SCHEMBL21991328 0.83 KDM4E (0.44) MAOBALDH1A1PPARAPPARGMME
SCHEMBL21992729 0.82 ALDH1A1 (0.45) MAOBALDH1A1PPARD
SCHEMBL21991932 0.81 LDHA (0.50) ALDH1A1PPARAPPARGFFAR1
SCHEMBL21991335 0.80 PPARA (0.55) MAOBALDH1A1PPARAPPARG

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 MAOB 3946/4885ALDH1A1 932/4885PPARD 760/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MAOB 3946/4885ALDH1A1 932/4885PPARD 760/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885ALDH1A1 932/4885PPARD 760/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885ALDH1A1 932/4885PPARD 760/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885ALDH1A1 932/4885PPARD 760/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MAOB 3946/4885ALDH1A1 932/4885PPARD 760/4885

“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.