SCHEMBL4285526

SCHEMBL4285526

CC(=O)OC[C@H]1C=C[C@@H](n2cc(F)c(NO)nc2=O)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
NLRP3 Q96P20 2/20 0.37
DUT P33316 1/20 0.34
MAPT P10636 1/20 0.33
HRAS P01112 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALB P02768 1/20 0.32
POLB P06746 1/20 0.32
ADRA1A P35348 1/20 0.32
BLM P54132 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
P2RY6 Q15077 2/20 0.31
P2RY14 Q15391 2/20 0.31
NT5E P21589 1/20 0.31

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
SCHEMBL1738785 0.85 ALB (0.43) LMNANLRP3DUTMAPTHRAS
SCHEMBL4288548 0.83 LMNA (0.44) LMNAALDH1A1ALBPOLBADRA1A
SCHEMBL4280947 0.78 DUT (0.40) NLRP3DUTHRASPOLBP2RY6
SCHEMBL4280167 0.77 LMNA (0.42) LMNAPOLBSMN1; SMN2
SCHEMBL4280172 0.77 LMNA (0.42) LMNAPOLBSMN1; SMN2
SCHEMBL4276828 0.77 LMNA (0.51) LMNADUTMAPTALDH1A1ALB
SCHEMBL2587213 0.76 LMNA (0.37) LMNAMAPTALDH1A1ALBPOLB
SCHEMBL2578394 0.75 LMNA (0.40) LMNAMAPTALDH1A1THRBSMN1; SMN2
SCHEMBL5496877 0.73 ALB (0.38) LMNADUTALB
SCHEMBL10376855 0.73 MAPT (0.40) NLRP3DUTMAPTHRASPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031309-A1 Beta-L-N4 Hydroxycytosine Deoxynucleosides and their use as Pharmaceutical Agents in the Prophylaxis or Therapy of Viral Diseases MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2014-01-30 US disclosed
US-20090105186-A1 Beta-L-N4-Hydroxycytosine Deoxynucleosides and their use as Pharmaceutical Agents in the Prophylaxis or Therapy of Viral Diseases MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2009-04-23 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 (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-20090105186-A1 Beta-L-N4-Hydroxycytosine Deoxynucleosides and their use as Pharmaceutical Agents in the Prophylaxis or Therapy of Viral Diseases TYMP, ENTPD5, NUDT1 LMNA 256/4885NLRP3 2626/4885DUT 9/4885
US-20140031309-A1 Beta-L-N4 Hydroxycytosine Deoxynucleosides and their use as Pharmaceutical Agents in the Prophylaxis or Therapy of Viral Diseases SAMHD1, TYMP, NUDT1 LMNA 560/4885NLRP3 3263/4885DUT 8/4885

“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.