SCHEMBL12302008

SCHEMBL12302008

CC1O[C@@H](n2cc(F)c(N)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 1/20 0.56
PMP22 Q01453 1/20 0.56
HBB P68871 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALB P02768 1/20 0.47
ADK P55263 10/20 0.46
ADORA3 P0DMS8 1/20 0.45
THRB P10828 1/20 0.40
MTOR P42345 1/20 0.40
MDM2 Q00987 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL331944 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB
SCHEMBL13621266 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB
SCHEMBL12029778 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB
SCHEMBL10041945 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB
SCHEMBL15119375 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB
SCHEMBL331945 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB
SCHEMBL2467656 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB
SCHEMBL19657131 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB
SCHEMBL10013535 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB
SCHEMBL13126803 1.00 LMNA (0.56) LMNATSHRMAPTPMP22HBB

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-20110224422-A1 PREPARATION OF CAPECITABINE DR. REDDY'S LABORATORIES LTD. (IN) 2011-09-15 US disclosed
US-20110224422-A1 PREPARATION OF CAPECITABINE DR. REDDY'S LABORATORIES LTD. (IN) 2011-09-15 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-20110224422-A1 PREPARATION OF CAPECITABINE DPYD, TYMP, DCTD LMNA 2368/4885TSHR 4324/4885MAPT 3342/4885

“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.