SCHEMBL21991897

SCHEMBL21991897

CC(CC(=O)OCC(=O)C(=O)O)Oc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL23605968 0.87 KMT2A (0.38) ALDH1A1MEN1KMT2AGAAPPARG
SCHEMBL21991869 0.87 MTNR1A (0.48) LDHAKDM4EALDH1A1SMN1; SMN2PPARG
SCHEMBL21991880 0.86 ALDH1A1 (0.39) LDHAKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21991861 0.86 PPARG (0.41) ALDH1A1MEN1KMT2AGAAPPARG
SCHEMBL21991532 0.86 NPSR1 (0.42) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21991611 0.86 PPARG (0.41) ALDH1A1MEN1KMT2AGAAPPARG
SCHEMBL21991602 0.86 PPARG (0.41) ALDH1A1MEN1KMT2AGAAPPARG
SCHEMBL21992661 0.85 KMT2A (0.44) LDHAKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21992649 0.83 MEN1 (0.38) LDHAKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21991266 0.83 PPARG (0.43) ALDH1A1PPARGPPARAMAPT

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 LDHA 3139/4885KDM4E 4518/4885ALDH1A1 932/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 LDHA 3139/4885KDM4E 4518/4885ALDH1A1 932/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885KDM4E 4518/4885ALDH1A1 932/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885KDM4E 4518/4885ALDH1A1 932/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885KDM4E 4518/4885ALDH1A1 932/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 LDHA 3139/4885KDM4E 4518/4885ALDH1A1 932/4885

“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.