SCHEMBL23217333

SCHEMBL23217333

CO[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
KCNN4 O15554 1/20 0.41
TK1 P04183 2/20 0.40
SRR Q9GZT4 2/20 0.40
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
PPARD Q03181 3/20 0.40
DUT P33316 1/20 0.38
CES1 P23141 1/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL23215123 1.00 KIF11 (0.41) KIF11KCNN4TK1SRRPPARG
SCHEMBL23215125 1.00 KIF11 (0.41) KIF11KCNN4TK1SRRPPARG
Lithium Ion SCHEMBL29745408 0.89 TK1 (0.38) KIF11KCNN4TK1SRRPPARG
Lithium Ion SCHEMBL29745334 0.89 TK1 (0.38) KIF11KCNN4TK1SRRPPARG
SCHEMBL29745562 0.87 KMT2A (0.42) KIF11KCNN4TK1DUTCES1
SCHEMBL29745219 0.87 KMT2A (0.42) KIF11KCNN4TK1DUTCES1
SCHEMBL9365526 0.79 KIF11 (0.43) KIF11KCNN4TK1DUTCYP2C19
SCHEMBL9365537 0.79 KIF11 (0.43) KIF11KCNN4TK1DUTCYP2C19
SCHEMBL23215946 0.77 TK1 (0.45) KIF11KCNN4TK1DUTCYP2C19
SCHEMBL4794864 0.77 TK1 (0.45) KIF11KCNN4TK1DUTCYP2C19

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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO 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 (1 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 KIF11 519/4885KCNN4 53/4885TK1 2163/4885

“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.