Capecitabine

Capecitabine

SCHEMBL2184820

CCCCCOC(=O)Nc1nc(=O)n(C2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TYMS

The experimentally established mechanism targets of Capecitabine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
ADK P55263 3/20 0.47
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
PMP22 Q01453 1/20 0.44
HBB P68871 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RY6 Q15077 2/20 0.37
P2RY14 Q15391 2/20 0.37
NT5E P21589 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35

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
Capecitabine SCHEMBL12029777 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL231286 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL4939140 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL10013531 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL21152105 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL236850 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL12302025 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL2470888 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL12948190 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL12301996 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069694-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH TRASTUZUMAB-MCC-DM1 GENENTECH, INC. (US) 2020-03-05 US disclosed
US-20170202973-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH TRASTUZUMAB-MCC-DM1 GENENTECH INC (US) 2017-07-20 US disclosed
US-20150265723-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH TRASTUZUMAB-MCC-DM1 GENENTECH INC (US) 2015-09-24 US disclosed
US-20110165155-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH TRASTUZUMAB-MCC-DM1 GENENTECH, INC. (US) 2011-07-07 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 (4 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-20170202973-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH TRASTUZUMAB-MCC-DM1 ERBB2, BRCA1, KRTCAP2 LMNA 3245/4885ADK 3503/4885TSHR 1094/4885
US-20110165155-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH TRASTUZUMAB-MCC-DM1 ERBB2, BRCA1, KRTCAP2 LMNA 3245/4885ADK 3503/4885TSHR 1094/4885
US-20200069694-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH TRASTUZUMAB-MCC-DM1 ERBB2, BRCA1, KRTCAP2 LMNA 3245/4885ADK 3503/4885TSHR 1094/4885
US-20150265723-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH TRASTUZUMAB-MCC-DM1 ERBB2, BRCA1, KRTCAP2 LMNA 3245/4885ADK 3503/4885TSHR 1094/4885

“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.