SCHEMBL21992584

SCHEMBL21992584

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.37
BACE1 P56817 2/20 0.35
GPR139 Q6DWJ6 1/20 0.35
TP53 P04637 1/20 0.34

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) BACE1
SCHEMBL21992573 0.83 HSD17B10 (0.40) BACE1
SCHEMBL21991505 0.81 CYP1A2 (0.46) TP53
SCHEMBL21991750 0.81 CYP1A2 (0.53)
SCHEMBL21991245 0.80 MAPT (0.47)
SCHEMBL21991306 0.78 BACE1 (0.37) PHGDHBACE1TP53
SCHEMBL21992542 0.77 PPARA (0.55)
SCHEMBL21991801 0.77 PDE3B (0.42)
SCHEMBL21992716 0.76 MTNR1B (0.36) PHGDHBACE1TP53

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 PHGDH 1934/4885BACE1 1133/4885GPR139 285/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PHGDH 1934/4885BACE1 1133/4885GPR139 285/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PHGDH 1934/4885BACE1 1133/4885GPR139 285/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PHGDH 1934/4885BACE1 1133/4885GPR139 285/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PHGDH 1934/4885BACE1 1133/4885GPR139 285/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PHGDH 1934/4885BACE1 1133/4885GPR139 285/4885

“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.