SCHEMBL21992667

SCHEMBL21992667

CC(C)(COc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 3/20 0.54
MAP4K4 O95819 1/20 0.51
NR4A2 P43354 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PPARA Q07869 9/20 0.47
PPARG P37231 4/20 0.45
FABP2 P12104 2/20 0.45
SLC22A12 Q96S37 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
PPARD Q03181 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 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
SCHEMBL21991590 0.87 PPARA (0.57) L3MBTL1NPC1RAB9AMAPTNR4A2
SCHEMBL21992673 0.87 NPC1 (0.52) L3MBTL1NPC1RAB9AMAPTNR4A2
SCHEMBL21748609 0.86 MAP4K4 (0.62) MAPTMAP4K4NR4A2MAOAMAOB
SCHEMBL21991536 0.85 L3MBTL1 (0.53) L3MBTL1NPC1RAB9AMAPTNR4A2
SCHEMBL21991555 0.85 PPARA (0.61) L3MBTL1MAPTMAP4K4NR4A2MAOA
SCHEMBL21991560 0.84 MAPT (0.50) L3MBTL1NPC1RAB9AMAPTMAP4K4
SCHEMBL21991969 0.83 NR4A2 (0.61) NPC1RAB9AMAP4K4NR4A2MAOA
SCHEMBL21991957 0.82 MAP4K4 (0.58) MAPTMAP4K4NR4A2PPARAPPARG
SCHEMBL21991776 0.81 PPARA (0.69) L3MBTL1NPC1RAB9AMAPTPPARA
SCHEMBL24805063 0.79 L3MBTL1 (0.61) L3MBTL1NPC1RAB9AMAPTNR4A2

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 L3MBTL1 1170/4885NPC1 233/4885RAB9A 1547/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 L3MBTL1 1170/4885NPC1 233/4885RAB9A 1547/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 L3MBTL1 1170/4885NPC1 233/4885RAB9A 1547/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 L3MBTL1 1170/4885NPC1 233/4885RAB9A 1547/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 L3MBTL1 1170/4885NPC1 233/4885RAB9A 1547/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 L3MBTL1 1170/4885NPC1 233/4885RAB9A 1547/4885

“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.