SCHEMBL21992573

SCHEMBL21992573

COc1cc(OC(C)(C)CC(=O)O)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GRK6 P43250 1/20 0.39
BACE1 P56817 2/20 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
SCHEMBL21992571 0.87 BACE1 (0.40) BACE1
SCHEMBL21991815 0.84 FBP1 (0.40) HSD17B10LMNAMAPK1BACE1
SCHEMBL21992584 0.83 PHGDH (0.37) BACE1
SCHEMBL21991741 0.81 PPARA (0.54) LMNAMAPK1HTTRAB9A
SCHEMBL14447040 0.79 MRGPRX4 (0.45) RAB9A
SCHEMBL21991809 0.78 CA1 (0.47) HSD17B10LMNAMAPK1HTT
SCHEMBL21992541 0.77 PPARA (0.41)
SCHEMBL21991239 0.77 MEN1 (0.42) BACE1
SCHEMBL21991836 0.74 LMNA (0.54) LMNA
SCHEMBL21991462 0.73 HTT (0.46) TAS2R14LMNAMAPK1HTTRAB9A

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 HSD17B10 1236/4885TAS2R14 2381/4885LMNA 4533/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 HSD17B10 1236/4885TAS2R14 2381/4885LMNA 4533/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 HSD17B10 1236/4885TAS2R14 2381/4885LMNA 4533/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 HSD17B10 1236/4885TAS2R14 2381/4885LMNA 4533/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 HSD17B10 1236/4885TAS2R14 2381/4885LMNA 4533/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 HSD17B10 1236/4885TAS2R14 2381/4885LMNA 4533/4885

“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.