SCHEMBL21992009

SCHEMBL21992009

CC(COc1ccc(OCc2ccc(Cl)cc2)cc1)C(C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.58
MAOB P27338 6/20 0.57
MAOA P21397 3/20 0.57
FFAR1 O14842 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
APP P05067 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL21991335 0.91 PPARA (0.55) NR4A2MAOBMAOARAB9APPARG
SCHEMBL21992007 0.87 PPARA (0.51) NR4A2RAB9APPARGPPARAMEN1
SCHEMBL21991595 0.86 MAOB (0.55) NR4A2MAOBMAOAFFAR1RXRA
SCHEMBL21991980 0.85 MAOB (0.53) NR4A2MAOBMAOAFFAR1RXRA
SCHEMBL21991981 0.85 MAOB (0.53) NR4A2MAOBMAOAFFAR1RXRA
SCHEMBL21992005 0.84 HPGD (0.51) NR4A2MAOBMAOARAB9APPARG
SCHEMBL21991593 0.84 L3MBTL1 (0.52) NR4A2MAOBMAOARXRARXRB
SCHEMBL21991875 0.83 NR4A2 (0.58) NR4A2MAOBMAOAFFAR1RXRA
SCHEMBL21992726 0.83 MAOB (0.60) NR4A2MAOBFFAR1HRH3PPARG
SCHEMBL21991261 0.80 NR4A2 (0.61) NR4A2MAOBMAOAFFAR1RXRA

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 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NR4A2 1549/4885MAOB 3946/4885MAOA 3996/4885

“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.