SCHEMBL2852189

SCHEMBL2852189

C[Si](C)(C)Nc1nc(=O)[nH]cc1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP19A1 P11511 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
HTT P42858 1/20 0.32
HBB P68871 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18325718 0.80 MAT2A (0.37) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL9124222 0.79 DPYD (0.31)
SCHEMBL22500804 0.76 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL1225985 0.76 GDA (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL27244201 0.76 PGK1 (0.33) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL12894751 0.73 ALDH1A1 (0.32) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL4183696 0.73
SCHEMBL27252703 0.72 ALDH1A1 (0.31) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL2221557 0.72 ADORA3 (0.41) ALDH1A1LMNAMAPTTSHRHTT
SCHEMBL12104174 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130734-A1 PROCESS FOR PREPARING CAPECITABINE DR. REDDY'S LABORATORIES LTD. (IN) 2010-05-27 US claimed
EP-2137201-A2 PROCESS FOR PREPARING CAPECITABINE Dr. Reddy's Laboratories Ltd. (IN) 2009-12-30 EP claimed
WO-2008131062-A2 PROCESS FOR PREPARING CAPECITABINE DR. REDDY'S LABORATORIES LTD. (IN) 2008-10-30 WO claimed
US-20100130734-A1 PROCESS FOR PREPARING CAPECITABINE DR. REDDY'S LABORATORIES LTD. (IN) 2010-05-27 US disclosed
EP-2137201-A2 PROCESS FOR PREPARING CAPECITABINE Dr. Reddy's Laboratories Ltd. (IN) 2009-12-30 EP disclosed
WO-2008131062-A2 PROCESS FOR PREPARING CAPECITABINE DR. REDDY'S LABORATORIES LTD. (IN) 2008-10-30 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-20100130734-A1 PROCESS FOR PREPARING CAPECITABINE DPYD, TYMP, TYMS ALDH1A1 1748/4885LMNA 2171/4885MAPT 4250/4885

“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.