Sugi Predict

Sugi Predict / Compounds / Capecitabine

Capecitabine

Capecitabine

SCHEMBL231286

CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F.CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[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 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 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 162 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US claimed
US-20080226622-A1 Hif Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 — — US claimed
EP-1926485-A2 HIF INHIBITORS Emory University (US) 2008-06-04 — — EP claimed
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 — — WO claimed
WO-2007130037-A1 HIF-1 INHIBITORS AND METHODS OF USE THEREOF EMORY UNIVERSITY (US) 2007-11-15 — — WO claimed
US-20070213312-A1 Hif-1 Inhibitors and Methods of Use Thereof EMORY UNIVERSITY 2007-09-13 — — US claimed
US-20070099952-A1 Hif-1 inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US claimed
WO-2007025169-A2 HIF INHIBITORS EMORY UNIVERSITY (US) 2007-03-01 — — WO claimed
CN-1833636-A Application of biphenyl cyclooctadiene lignin in treatment of tumour medicine HU XUN (CN) 2006-09-20 — — CN claimed
EP-1682115-A2 HIF-1 INHIBITORS AND METHODS OF USE THEREOF Emory University (US) 2006-07-26 — — EP claimed
CN-1762450-A Application of magnolia vine fruit in preparation of anti-tumor medicine or multi-medicine tolerant reversal agent HU XUN (CN) 2006-04-26 — — CN claimed
EP-1613311-A2 HIF-1 INHIBITORS Emory University (US) 2006-01-11 — — EP claimed
US-20050119243-A1 HIF-1 inhibitors and methods of use thereof EMORY UNIVERSITY 2005-06-02 — — US claimed
WO-2005046595-A2 HIF-1 INHIBITORS AND METHODS OF USE THEREOF EMORY UNIVERSITY (US) 2005-05-26 — — WO claimed
WO-2004087066-A2 HIF-1 INHIBITORS EMORY UNIVERSITY (US) 2004-10-14 — — WO claimed
CN-114206896-A Cyclic deoxyribonucleotide compounds 纽科利制药公司 2022-03-18 — — CN disclosed
CN-113784987-A High affinity monoclonal antibodies targeting glypican-1 and methods of use 美国政府(由卫生和人类服务部的部长所代表) 2021-12-10 — — CN disclosed
US-20050260634-A1 Achaete-scute like-2 polypeptides and encoding nucleic acids and methods for the diagnosis and treatment of tumor GENENTECH, INC. 2005-11-24 — — US disclosed
WO-2005079566-A2 GENE DISRUPTIONS, COMPOSITIONS AND METHODS RELATING THERETO LEXICON GENETICS INCORPORATED (US) 2005-09-01 — — WO disclosed
WO-2005058028-A2 NOVEL GENE DISRUPTIONS, COMPOSITIONS AND METHODS RELATING THERETO GENENTECH, INC. (US) 2005-06-30 — — 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 (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-20070099952-A1 Hif-1 inhibitors HIF1AN, HIF1A, EGLN2 LMNA 2671/4885ADK 1341/4885TSHR 3259/4885
US-20080226622-A1 Hif Inhibitors HIF1AN, HIF1A, EGLN3 LMNA 2973/4885ADK 1219/4885TSHR 2827/4885
US-20050119243-A1 HIF-1 inhibitors and methods of use thereof HIF1AN, HIF1A, EGLN3 LMNA 2213/4885ADK 2051/4885TSHR 4109/4885
US-20070213312-A1 Hif-1 Inhibitors and Methods of Use Thereof HIF1AN, HIF1A, EGLN2 LMNA 1990/4885ADK 2105/4885TSHR 3995/4885

“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.