SCHEMBL5080171

SCHEMBL5080171

O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)C(F)=C2F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
PMP22 Q01453 1/20 0.48
HBB P68871 1/20 0.48
ESR1 P03372 1/20 0.44
HSP90AA1 P07900 1/20 0.41
NT5E P21589 1/20 0.40
P2RY6 Q15077 1/20 0.40
P2RY14 Q15391 1/20 0.40
ADRA1A P35348 2/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALB P02768 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
TK1 P04183 1/20 0.39

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
SCHEMBL5080168 1.00 LMNA (0.56) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL5079307 0.81 LMNA (0.39) LMNASMN1; SMN2TSHRPMP22ADRA1A
SCHEMBL5076808 0.78 LMNA (0.56) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL5076805 0.78 LMNA (0.56) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL7116228 0.77 LMNA (0.52) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL7116224 0.77 LMNA (0.52) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL23590325 0.76 LMNA (0.51) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL12595726 0.74 LMNA (0.65) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL9123486 0.74 LMNA (0.58) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL9123491 0.74 LMNA (0.58) LMNASMN1; SMN2MAPTTSHRPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293668-A1 [5-carboxamido or 5-fluoro]-[2',3'-unsaturated or 3'-modified]-pyrimidine nucleosides SCHINAZI RAYMOND F 2008-11-27 US claimed
US-20040167140-A1 [5-carboxamido or 5-fluoro]-[2',3'-unsaturated or 3'-modified]-pyrimidine nucleosides EMORY UNIVERSITY 2004-08-26 US claimed
EP-1361227-A2 [5-carboxamide or 5-fluoro]-[2', 3'-unsaturated or 3'-modifield]-pyrimidine nucleosides Emory University (US) 2003-11-12 EP claimed
US-20020198173-A1 [5-carboxamido or 5-fluoro] - [2' ,3' -unsaturated or 3' -modified] - pyrimidine nucleosides EMORY UNIVERSITY 2002-12-26 US claimed
US-20080293668-A1 [5-carboxamido or 5-fluoro]-[2',3'-unsaturated or 3'-modified]-pyrimidine nucleosides SCHINAZI RAYMOND F 2008-11-27 US disclosed
US-7419966-B2 [5-carboxamido or 5-fluoro]-[2′,3′-unsaturated or 3′-modified]-pyrimidine nucleosides EMORY UNIVERSITY (US) 2008-09-02 US disclosed
US-20040167140-A1 [5-carboxamido or 5-fluoro]-[2',3'-unsaturated or 3'-modified]-pyrimidine nucleosides EMORY UNIVERSITY 2004-08-26 US disclosed
US-6680303-B2 VIRICIDES FOR TREATING HIV AND HEPATITIS VIRUS EMORY UNIVERSITY 2004-01-20 US disclosed
EP-1361227-A2 [5-carboxamide or 5-fluoro]-[2', 3'-unsaturated or 3'-modifield]-pyrimidine nucleosides Emory University (US) 2003-11-12 EP disclosed
US-20020198173-A1 [5-carboxamido or 5-fluoro] - [2' ,3' -unsaturated or 3' -modified] - pyrimidine nucleosides EMORY UNIVERSITY 2002-12-26 US disclosed
US-6391859-B1 HUMAN IMMUNODEFICIENCY VIRUS; VIRICIDES EMORY UNIVERSITY 2002-05-21 US disclosed
US-6232300-B1 ADMINISTERING AS HEPATITIS B VIRICIDE EMORY UNIVERSITY 2001-05-15 US disclosed
US-5905070-A HUMAN T-CELL LEUKEMIA/LYMPHOMA AND HEPATITIS B VIRICIDES; AIDS EMORY UNIVERSITY (US) 1999-05-18 US disclosed
US-5703058-A TREATMENT OF HIV AND HEPATITIS B EMORY UNIVERSITY (US) 1997-12-30 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 (3 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-20080293668-A1 [5-carboxamido or 5-fluoro]-[2',3'-unsaturated or 3'-modified]-pyrimidine nucleosides DUT, NUDT1, PNP LMNA 1598/4885SMN1; SMN2 1959/4885MAPT 3122/4885
US-20020198173-A1 [5-carboxamido or 5-fluoro] - [2' ,3' -unsaturated or 3' -modified] - pyrimidine nucleosides DUT, NUDT1, PNP LMNA 1735/4885SMN1; SMN2 1970/4885MAPT 3027/4885
US-20040167140-A1 [5-carboxamido or 5-fluoro]-[2',3'-unsaturated or 3'-modified]-pyrimidine nucleosides DUT, NUDT1, PNP LMNA 1735/4885SMN1; SMN2 1970/4885MAPT 3027/4885

“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.