SCHEMBL17157239

SCHEMBL17157239

CC(C)=CCCC(C)=CCCC(C)=CCn1c(=O)c(F)cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.40
▸ MAPT P10636 1/20 0.36
▸ CDA P32320 1/20 0.36
▸ PYGM P11217 3/20 0.36
▸ TK2 O00142 2/20 0.36
▸ SLC5A2 P31639 1/20 0.36
▸ SLC28A1 O00337 1/20 0.36
▸ SLC28A2 O43868 1/20 0.36
▸ SLC29A1 Q99808 1/20 0.36
▸ SLC28A3 Q9HAS3 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PAX8 Q06710 1/20 0.36

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
SCHEMBL17173369 1.00 TYMP (0.40) TYMPMAPTCDAPYGMTK2
SCHEMBL17157237 1.00 TYMP (0.40) TYMPMAPTCDAPYGMTK2
SCHEMBL17177264 1.00 TYMP (0.40) TYMPMAPTCDAPYGMTK2
SCHEMBL17157236 1.00 TYMP (0.40) TYMPMAPTCDAPYGMTK2
SCHEMBL19901613 1.00 TYMP (0.40) TYMPMAPTCDAPYGMTK2
SCHEMBL22179139 1.00 TYMP (0.40) TYMPMAPTCDAPYGMTK2
SCHEMBL17177287 0.86 ALDH1A1 (0.36) —
SCHEMBL17157274 0.86 ALDH1A1 (0.36) —
SCHEMBL17173379 0.86 ALDH1A1 (0.36) —
SCHEMBL19901627 0.86 ALDH1A1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900679-B1 5-FLUOROURIDINE DERIVATIVES BRAUN MELSUNGEN AG (DE) 2020-07-01 — — EP disclosed
US-9902752-B2 5-fluorouracil derivatives B. BRAUN MELSUNGEN AG (DE) 2018-02-27 — — US disclosed
US-20150291649-A1 5-Fluorouracil Derivatives B. BRAUN MELSUNGEN AG (DE) 2015-10-15 — — 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-20150291649-A1 5-Fluorouracil Derivatives DPYD, FAU, DHFR TYMP 7/4885MAPT 3996/4885CDA 515/4885

“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.

Send feedback