Capecitabine

Capecitabine

SCHEMBL236850

CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)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 SCHEMBL2184820 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL10013531 1.00 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL21152105 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 546 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4534088-A1 ARFOLITIXORIN FOR USE IN VITAMIN B6-ENHANCED, 5-FLUOROURACIL-BASED CHEMOTHERAPY OF CARCINOMAS Isofol Medical AB (SE) 2025-04-09 EP claimed
US-20240350467-A1 [6R]-MTHF IN B6 ENHANCED 5-FU BASED CHEMOTHERAPY OF PANCREATIC CANCER ISOFOL MEDICAL AB (SE) 2024-10-24 US claimed
US-20240350495-A1 [6R]-MTHF IN B6 ENHANCED 5-FU BASED CHEMOTHERAPY OF CARCINOMA ISOFOL MEDICAL AB (SE) 2024-10-24 US claimed
WO-2024218382-A1 [6R]-MTHF IN B6 ENHANCED 5-FU BASED CHEMOTHERAPY OF PANCREATIC CANCER ISOFOL MEDICAL AB (SE) 2024-10-24 WO claimed
EP-4450071-A1 [6R]-MTHF IN B6 ENHANCED 5-FU BASED CHEMOTHERAPY OF PANCREATIC CANCER Isofol Medical AB (SE) 2024-10-23 EP claimed
WO-2023046305-A1 [6R]-MTHF IN 5-FU BASED CHEMOTHERAPY OF LEFT-SIDED COLORECTAL CANCER ISOFOL MEDICAL AB (SE) 2023-03-30 WO claimed
WO-2023046940-A1 [6R]-MTHF IN 5-FU BASED CHEMOTHERAPY OF BRAF- OR KRAS-MUTATED COLORECTAL CANCER ISOFOL MEDICAL AB (SE) 2023-03-30 WO claimed
WO-2023046307-A1 [6R]-MTHF IN 5-FU BASED CHEMOTHERAPY OF RIGHT-SIDED COLORECTAL CANCER ISOFOL MEDICAL AB (SE) 2023-03-30 WO claimed
WO-2023046304-A1 [6R]-MTHF IN 5-FU BASED CHEMOTHERAPY OF BRAF- OR KRAS-MUTATED COLORECTAL CANCER ISOFOL MEDICAL AB (SE) 2023-03-30 WO claimed
US-20210401842-A1 [6R]-MTHF - an efficient folate alternative in 5-fluorouracil based chemotherapy ISOFOL MEDICAL AB (SE) 2021-12-30 US claimed
EP-1551378-A2 EPO D + 5-FU/GEMCITABINE Kosan Biosciences, Inc. (US) 2005-07-13 EP claimed
US-20040167222-A1 Inhibition of melanogenesis and melanoma metastasis with p-aminobenzoic acid (PABA) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-08-26 US claimed
US-20040167097-A1 EPO D + 5-FU/gemcitabine KOSAN BIOSCIENCES, INC. 2004-08-26 US claimed
WO-2004032872-A2 Epo D + 5-FU/GEMCITABINE KOSAN BIOSCIENCES, INC. (US) 2004-04-22 WO claimed
EP-1392296-A1 THIAZOLIDINEDIONES ALONE OR IN CONBINATION WITH OTHER THERAPEUTIC AGENTS FOR INHIBITING OR REDUCING TUMOUR GROWTH F. HOFFMANN-LA ROCHE AG (CH) 2004-03-03 EP claimed
WO-2002080913-A1 THIAZOLIDINEDIONES ALONE OR IN COMBINATION WITH OTHER THERAPEUTIC AGENTS FOR INHIBITING OR REDUCING TUMOUR GROWTH F. HOFFMANN-LA ROCHE AG (CH) 2002-10-17 WO claimed
EP-1060183-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP claimed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO claimed
EP-0602454-B1 N-Oxycarbonyl substituted 5'-deoxy-5-fluorocytidines HOFFMANN LA ROCHE (CH) 1996-04-24 EP claimed
EP-0602454-A1 N-Oxycarbonyl substituted 5'-deoxy-5-fluorocytidines F. HOFFMANN-LA ROCHE AG (CH) 1994-06-22 EP claimed