SCHEMBL21991829

SCHEMBL21991829

O=C(O)CCOc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ HPGD P15428 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ SRD5A2 P31213 1/20 0.52
▸ NR4A2 P43354 1/20 0.51
▸ FABP2 P12104 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ SLC22A12 Q96S37 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MCL1 Q07820 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ELANE P08246 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ MAPK1 P28482 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
SCHEMBL355627 0.91 L3MBTL1 (0.67) PPARAL3MBTL1HPGDNR4A2PPARG
SCHEMBL8582394 0.86 L3MBTL1 (0.61) L3MBTL1MMP2MCL1
SCHEMBL38747 0.83 PPARA (0.62) PPARAL3MBTL1GAASRD5A2MMP2
SCHEMBL21991847 0.83 L3MBTL1 (0.58) PPARAL3MBTL1NR4A2MMP2LMNA
SCHEMBL17946627 0.83 HPGD (0.58) PPARAL3MBTL1HPGDSRD5A2NR4A2
SCHEMBL9482870 0.83 HPGD (0.58) PPARAL3MBTL1HPGDGAASRD5A2
SCHEMBL11554967 0.83 GAA (0.72) PPARAHPGDGAASRD5A2NR4A2
SCHEMBL21991800 0.83 HPGD (0.58) PPARAL3MBTL1HPGDGAAFABP2
SCHEMBL120716 0.82 KMT2A (0.58) PPARAL3MBTL1HPGDLMNAALDH1A1
SCHEMBL21991528 0.82 NR4A2 (0.67) L3MBTL1NR4A2HRH3MAOAMAOB

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 PPARA 806/4885L3MBTL1 1170/4885HPGD 765/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885HPGD 765/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885HPGD 765/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885HPGD 765/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885HPGD 765/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885L3MBTL1 1170/4885HPGD 765/4885

“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.

Send feedback