SCHEMBL21991602

SCHEMBL21991602

C[C@@H](CC(=O)OCC(=O)C(=O)O)Oc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.41
PPARA Q07869 9/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL21991861 1.00 PPARG (0.41) PPARGPPARAGAANPSR1GPR55
SCHEMBL21991611 1.00 PPARG (0.41) PPARGPPARAGAANPSR1GPR55
SCHEMBL21991309 0.96 PPARA (0.42) PPARGPPARAGAANPSR1GPR55
SCHEMBL21991565 0.94 HPGD (0.44) PPARGPPARAGAANPSR1GPR55
SCHEMBL21992690 0.91 NR4A2 (0.49) PPARANPSR1KMT2AMEN1RAB9A
SCHEMBL21991318 0.89 L3MBTL1 (0.46) PPARGPPARAKMT2AMEN1RAB9A
SCHEMBL23605968 0.87 KMT2A (0.38) PPARGPPARAGAAKMT2AALDH1A1
SCHEMBL21991869 0.87 MTNR1A (0.48) PPARGPPARAALDH1A1
SCHEMBL21991868 0.86 GAA (0.42) GAANPSR1GPR55TSHRKMT2A
SCHEMBL21991532 0.86 NPSR1 (0.42) PPARGPPARAGAANPSR1KMT2A

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 PPARG 1583/4885PPARA 806/4885GAA 2392/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885GAA 2392/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885GAA 2392/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885GAA 2392/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885GAA 2392/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARG 1583/4885PPARA 806/4885GAA 2392/4885

“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.