SCHEMBL21991934

SCHEMBL21991934

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
PTGS2 P35354 1/20 0.46
KMT2A Q03164 2/20 0.42
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KLK7 P49862 2/20 0.40
MEN1 O00255 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 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
SCHEMBL21991939 0.96 GAA (0.45) GAANPSR1GPR55PTGS2KMT2A
SCHEMBL21991352 0.93 HPGD (0.53) GAANPSR1GPR55PTGS2KMT2A
SCHEMBL21991364 0.89 MAOB (0.52) PTGS2RAB9AMAPTALDH1A1
SCHEMBL21991592 0.87 L3MBTL1 (0.50) GAAKMT2ARAB9AMAPTALDH1A1
SCHEMBL21992699 0.87 MTNR1A (0.50) GAAPPARGPPARARAB9ACYP1A2
SCHEMBL21991987 0.86 KMT2A (0.45) GAANPSR1GPR55PTGS2KMT2A
SCHEMBL21991338 0.85 PPARA (0.46) GAANPSR1GPR55KMT2APPARG
SCHEMBL21991580 0.84 LDHA (0.45) GAANPSR1KMT2ARAB9ACYP1A2
SCHEMBL21991573 0.84 KMT2A (0.50) GAANPSR1GPR55KMT2APPARG
SCHEMBL21991519 0.84 GAA (0.50) GAANPSR1GPR55PTGS2KMT2A

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 GAA 2392/4885NPSR1 712/4885GPR55 430/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 GAA 2392/4885NPSR1 712/4885GPR55 430/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 GAA 2392/4885NPSR1 712/4885GPR55 430/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 GAA 2392/4885NPSR1 712/4885GPR55 430/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 GAA 2392/4885NPSR1 712/4885GPR55 430/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 GAA 2392/4885NPSR1 712/4885GPR55 430/4885

“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.