SCHEMBL21991554

SCHEMBL21991554

COC(=O)C(C)(C)COc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
PPARA Q07869 1/20 0.45
MAOB P27338 3/20 0.45
MDH1 P40925 1/20 0.44
MDH2 P40926 1/20 0.44
LMNA P02545 2/20 0.44
MAPK14 Q16539 1/20 0.44
CACNA1B Q00975 1/20 0.43
LTA4H P09960 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL21991302 0.96 ALDH1A1 (0.51) ALDH1A1PPARAMAOBMDH1MDH2
SCHEMBL21991542 0.88 MAOB (0.61) PPARAMAOB
SCHEMBL21992674 0.86 NPC1 (0.48) ALDH1A1PPARAMAOBLMNALTA4H
SCHEMBL21992730 0.86 PPARA (0.52) ALDH1A1PPARAMAOBMDH1MDH2
SCHEMBL21992678 0.85 PPARA (0.56) ALDH1A1PPARAMAOBMAPK14MEN1
SCHEMBL21991321 0.85 PPARA (0.43) ALDH1A1PPARAMAOBMDH1MDH2
SCHEMBL21992664 0.82 SSTR4 (0.50) ALDH1A1PPARAMEN1KMT2ACYP1A2
SCHEMBL21991304 0.81 NPC1 (0.51) ALDH1A1PPARAMAOBMDH1MDH2
SCHEMBL21991909 0.80 PPARA (0.60) ALDH1A1PPARAMAOBMDH1MDH2
SCHEMBL21991531 0.80 SSTR4 (0.53) MAOBLMNAMEN1KMT2ASMN1; SMN2

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 ALDH1A1 932/4885PPARA 806/4885MAOB 3946/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ALDH1A1 932/4885PPARA 806/4885MAOB 3946/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885PPARA 806/4885MAOB 3946/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885PPARA 806/4885MAOB 3946/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885PPARA 806/4885MAOB 3946/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885PPARA 806/4885MAOB 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.