SCHEMBL22858014

SCHEMBL22858014

CC(C)CCC1CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3363728 0.78 GPR119 (0.38) GPR119TSHR
SCHEMBL18256128 0.75 NAAA (0.30)
SCHEMBL17307166 0.74 GPR119 (0.36) GPR119
SCHEMBL2212358 0.74 GPR119 (0.35) GPR119
SCHEMBL12401055 0.74 GPR119 (0.35) GPR119
SCHEMBL1192952 0.74 GPR119 (0.35) GPR119
SCHEMBL102412 0.74 GPR119 (0.38) GPR119
SCHEMBL1678779 0.73
SCHEMBL732476 0.73 GPR119 (0.41) GPR119
SCHEMBL21579835 0.73 CTSS (0.31) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 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 (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-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM GPR119 52/4885CTSS 4026/4885CTSK 2774/4885

“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.