SCHEMBL10013541

SCHEMBL10013541

CC1O[C@H](C)C2OC(=O)O[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 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
SCHEMBL14790898 0.85 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL17589657 0.83
SCHEMBL24786274 0.82 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL22591180 0.78
SCHEMBL17589654 0.78 LMNA (0.34) LMNATSHR
SCHEMBL24906421 0.74
SCHEMBL137875 0.74
SCHEMBL432317 0.74
SCHEMBL5014585 0.74
SCHEMBL19125529 0.74

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-8097706-B2 Methods for preparing capecitabine and beta-anomer-rich trialkyl carbonate compound used therein Hammi Holdings Co., Ltd (KR) 2012-01-17 US disclosed
US-20100249395-A1 METHODS FOR PREPARING CAPECITABINE AND BETA-ANOMER-RICH TRIALKYL CARBONATE COMPOUND USED THEREIN HANMI PHARM. CO., LTD. (KR) 2010-09-30 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-20100249395-A1 METHODS FOR PREPARING CAPECITABINE AND BETA-ANOMER-RICH TRIALKYL CARBONATE COMPOUND USED THEREIN TYMP, SI, DPYD SMN1; SMN2 2184/4885LMNA 3050/4885BLM 3776/4885

“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.