SCHEMBL21991891

SCHEMBL21991891

COC(=O)C(=O)COC(=O)CC(C)Oc1ccc(F)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL21991918 0.91 ALDH1A1 (0.34) MEN1GAAKMT2A
SCHEMBL21992653 0.89 TAS2R14 (0.37) BACE1SMN1; SMN2MEN1GAAMAPT
SCHEMBL21992650 0.89 KDM4E (0.34) SMN1; SMN2MEN1GAAMAPTKMT2A
SCHEMBL21992644 0.85 MTNR1A (0.41) BACE1MTNR1AMTNR1BTP53MEN1
SCHEMBL21991885 0.84 ALDH1A1 (0.43) SMN1; SMN2MTNR1AMTNR1BTP53MEN1
SCHEMBL21991890 0.84 BACE1 (0.39) BACE1MEN1KMT2A
SCHEMBL21991908 0.84 MTNR1A (0.50) SMN1; SMN2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL21991868 0.82 GAA (0.42) MTNR1AMTNR1BGAAKMT2A
SCHEMBL23606053 0.80 KMT2A (0.41) MTNR1AMTNR1BMEN1GAAMAPT
SCHEMBL21991306 0.80 BACE1 (0.37) BACE1MTNR1AMTNR1BTP53MEN1

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 BACE1 1133/4885SMN1; SMN2 3122/4885MTNR1A 3190/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 BACE1 1133/4885SMN1; SMN2 3122/4885MTNR1A 3190/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 BACE1 1133/4885SMN1; SMN2 3122/4885MTNR1A 3190/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 BACE1 1133/4885SMN1; SMN2 3122/4885MTNR1A 3190/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 BACE1 1133/4885SMN1; SMN2 3122/4885MTNR1A 3190/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 BACE1 1133/4885SMN1; SMN2 3122/4885MTNR1A 3190/4885

“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.