SCHEMBL21991885

SCHEMBL21991885

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
KLK7 P49862 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 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
SCHEMBL21991908 0.89 MTNR1A (0.50) ALDH1A1SMN1; SMN2KLK7MEN1KMT2A
SCHEMBL21991527 0.88 NPSR1 (0.43) ALDH1A1SMN1; SMN2KLK7MEN1KMT2A
SCHEMBL23606053 0.88 KMT2A (0.41) ALDH1A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL21991880 0.87 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AMTNR1A
SCHEMBL21991868 0.87 GAA (0.42) KLK7KMT2AMTNR1AMTNR1BTSHR
SCHEMBL21991532 0.86 NPSR1 (0.42) ALDH1A1SMN1; SMN2KLK7MEN1KMT2A
SCHEMBL21991905 0.86 ALDH1A1 (0.39) ALDH1A1MTNR1AMTNR1BNPSR1MAPT
SCHEMBL21991300 0.86 NPSR1 (0.39) ALDH1A1SMN1; SMN2KLK7MEN1KMT2A
SCHEMBL21991891 0.84 BACE1 (0.36) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL21992677 0.84 GAA (0.40) KLK7MTNR1AMTNR1BTSHRNPSR1

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 ALDH1A1 932/4885SMN1; SMN2 3122/4885KLK7 3347/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KLK7 3347/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KLK7 3347/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KLK7 3347/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KLK7 3347/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885SMN1; SMN2 3122/4885KLK7 3347/4885

“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.