SCHEMBL21991352

SCHEMBL21991352

COC(=O)CC(C)C(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.44
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 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
SCHEMBL21991934 0.93 GAA (0.48) HPGDNPSR1PPARGPPARAMAPT
SCHEMBL21991939 0.89 GAA (0.45) NPSR1PPARGPPARAKMT2APTGS2
SCHEMBL21991344 0.88 KMT2A (0.52) HPGDNPSR1PPARGPPARAMAPK1
SCHEMBL21992003 0.87 HPGD (0.47) HPGDNPSR1PPARGPPARAMAPK1
SCHEMBL21991592 0.86 L3MBTL1 (0.50) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL21991312 0.86 HPGD (0.55) HPGDNPSR1PPARGPPARAMAPK1
SCHEMBL21992719 0.86 HPGD (0.51) HPGDNPSR1PPARGPPARAMAPK1
SCHEMBL21991364 0.83 MAOB (0.52) MAPTPTGS2ALDH1A1HTTRAB9A
SCHEMBL21992699 0.81 MTNR1A (0.50) HPGDPPARGPPARACYP1A2CYP2C9
SCHEMBL21991987 0.80 KMT2A (0.45) HPGDNPSR1PPARGPPARAMAPK1

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 HPGD 765/4885NPSR1 712/4885PPARG 1583/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 HPGD 765/4885NPSR1 712/4885PPARG 1583/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 HPGD 765/4885NPSR1 712/4885PPARG 1583/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 HPGD 765/4885NPSR1 712/4885PPARG 1583/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 HPGD 765/4885NPSR1 712/4885PPARG 1583/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 HPGD 765/4885NPSR1 712/4885PPARG 1583/4885

“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.