SCHEMBL20163725

SCHEMBL20163725

CC(C)CC1C(=O)CCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MME P08473 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL21528223 0.81
SCHEMBL19331934 0.75 LMNA (0.32) POLB
SCHEMBL104499 0.75 LMNA (0.42) POLB
SCHEMBL23549784 0.74 LMNA (0.31) POLB
SCHEMBL757856 0.74 LMNA (0.31) POLB
SCHEMBL19716095 0.74 LMNA (0.31) POLB
SCHEMBL17868701 0.72
SCHEMBL2487318 0.70 LMNA (0.34) POLB
SCHEMBL18979169 0.68 LMNA (0.34) POLB
SCHEMBL4760228 0.68 MAPT (0.32) POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 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 (2 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-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA ABCB1 291/4885ABCG2 1136/4885MME 4830/4885
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA ABCB1 291/4885ABCG2 1136/4885MME 4830/4885

“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.