SCHEMBL1271665

SCHEMBL1271665

CC(=O)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)n(C(C)=O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADRB1 P08588 1/20 0.46
DNMT1 P26358 1/20 0.46
TK2 O00142 1/20 0.46
ALOX12 P18054 1/20 0.44
ADRA1A P35348 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL14855864 0.87 TK1 (0.47) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL1411935 0.87 TK1 (0.47) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL8911352 0.79 ALDH1A1 (0.44) LMNASMN1; SMN2DNMT1BLMPMP22
SCHEMBL9780661 0.78 TK1 (0.69) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL9780646 0.78 TK1 (0.69) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL6536160 0.77 TK1 (0.45) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL10580076 0.77 TK1 (0.39) TK1
SCHEMBL779334 0.76 TK1 (0.42) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL2922542 0.76 TK1 (0.42) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL9092454 0.76 TYMP (0.41) LMNADNMT1BLMPMP22

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-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 US disclosed
US-20090124796-A1 Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same TOSOH CORPORATION (JP) 2009-05-14 US disclosed
US-5703056-A MONITORING THERAPY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-12-30 US disclosed
WO-1996028190-A1 NON-INVASIVE IMAGING OF GENE TRANSFER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-09-19 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-20090124796-A1 Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same PFAS, FPGS, NUDT1 TK1 478/4885LMNA 2811/4885SMN1; SMN2 1728/4885

“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.