SCHEMBL4115444

SCHEMBL4115444

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
TK1 P04183 3/20 0.67
ALOX12 P18054 1/20 0.67
ADRA1A P35348 1/20 0.67
TK2 O00142 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL5982483 1.00 LMNA (0.71) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL4115443 1.00 LMNA (0.71) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL11052655 0.91 TK1 (0.70) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL10400312 0.91 TK1 (0.70) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL5982682 0.91 TK1 (0.70) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL10401030 0.88 TK1 (0.71) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL9465344 0.88 TK1 (0.67) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL5982148 0.88 TK1 (0.67) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL5983818 0.88 TK1 (0.67) LMNASMN1; SMN2TK1ALOX12ADRA1A
SCHEMBL1172396 0.88 TK1 (0.67) LMNASMN1; SMN2TK1ALOX12ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719271-B1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMA INC (US) 1997-11-26 EP claimed
EP-0719271-A1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-07-03 EP claimed
US-5512678-A MAY BE USED IN CONJUNCTION WITH 5-FLUOROURACIL MERRELL PHARMACEUTICALS INC. (US) 1996-04-30 US claimed
WO-1995007917-A1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-03-23 WO claimed
US-20090054667-A1 Transition metal catalyzed cross-coupling of 1-halo-1-haloalkene compounds REPLIDYNE, INC. (US) 2009-02-26 US disclosed
US-20080194842-A1 Transition Metal Catalyzed Cross-Coupling Of 1-Halo-1-Haloalkene Compounds REPLIDYNE, INC. (US) 2008-08-14 US disclosed
EP-0719271-B1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMA INC (US) 1997-11-26 EP disclosed
EP-0719271-A1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-07-03 EP disclosed
US-5512678-A MAY BE USED IN CONJUNCTION WITH 5-FLUOROURACIL MERRELL PHARMACEUTICALS INC. (US) 1996-04-30 US disclosed
WO-1995007917-A1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-03-23 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 (2 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-20090054667-A1 Transition metal catalyzed cross-coupling of 1-halo-1-haloalkene compounds TDO2, TALDO1, NAT1 LMNA 4826/4885SMN1; SMN2 4796/4885TK1 305/4885
US-20080194842-A1 Transition Metal Catalyzed Cross-Coupling Of 1-Halo-1-Haloalkene Compounds TDO2, TALDO1, NAT1 LMNA 4826/4885SMN1; SMN2 4796/4885TK1 305/4885

“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.