SCHEMBL4596737

SCHEMBL4596737

Cc1cn([C@H]2C[C@H](O)[C@@H](C(F)ON=[N+]=[N-])O2)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.55
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
ALB P02768 1/20 0.52
PKM P14618 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
CYP2D6 P10635 1/20 0.52
POLB P06746 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL9011028 0.86 TK1 (0.53) TK1LMNATSHRALBPKM
SCHEMBL15643543 0.84 TK1 (0.66) TK1POLB
SCHEMBL14690119 0.82 TK1 (0.59) TK1LMNATSHRALBPKM
SCHEMBL2379396 0.81 POLB (0.56) TK1LMNATSHRALBPKM
SCHEMBL2295 0.81 TK1 (0.63) TK1POLB
SCHEMBL25752530 0.81 TK1 (0.70) TK1POLB
SCHEMBL316663 0.80 TK1 (0.65) TK1POLB
SCHEMBL6379327 0.80 TK1 (0.67) TK1
SCHEMBL9201376 0.78 POLB (0.63) TK1LMNATSHRALBPKM
SCHEMBL34209 0.78 POLB (0.63) TK1LMNATSHRALBPKM

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
US-20080292550-A1 Fluorinated 3'-Deoxythymidine Derivatives, a Method for Their Preparation and Their Use MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2008-11-27 US disclosed
EP-1874789-A1 FLUORINATED 3'-DEOXYTHYMIDINE DERIVATIVES, A METHOD FOR THEIR PREPARATION AND THEIR USE MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2008-01-09 EP disclosed
WO-2006114336-A1 FLUORINATED 3'-DEOXYTHYMIDINE DERIVATIVES, A METHOD FOR THEIR PREPARATION AND THEIR USE Max-Delbrück-Centrum für Molekulare Medizin (DE) 2006-11-02 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-20080292550-A1 Fluorinated 3'-Deoxythymidine Derivatives, a Method for Their Preparation and Their Use EEF1A2, DUT, CYP4F2 TK1 113/4885LMNA 1927/4885TSHR 32/4885

“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.