SCHEMBL4280947

SCHEMBL4280947

CC(=O)OC[C@H]1C=C[C@@H](n2ccc(NO)nc2=O)O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.40
NLRP3 Q96P20 2/20 0.38
P2RY6 Q15077 7/20 0.37
P2RY2 P41231 5/20 0.37
P2RY4 P51582 5/20 0.37
HRAS P01112 1/20 0.35
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
NT5E P21589 1/20 0.33
P2RY14 Q15391 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL10376855 0.90 MAPT (0.40) DUTNLRP3P2RY6P2RY2P2RY4
SCHEMBL4285392 0.82 LMNA (0.43) DUTP2RY6P2RY2P2RY4ABL1
SCHEMBL10590553 0.80 MAPT (0.36) DUTP2RY6P2RY2P2RY4HRAS
SCHEMBL10512100 0.79 DUT (0.37) DUTP2RY6P2RY2P2RY4HRAS
SCHEMBL4285526 0.78 LMNA (0.39) DUTNLRP3P2RY6HRASNT5E
SCHEMBL10377222 0.77 ROCK2 (0.39) DUTP2RY6HRASABL1RIN1
SCHEMBL10378300 0.76 PTGS2 (0.37) DUTP2RY6HRASABL1RIN1
SCHEMBL10509560 0.76 ABL1 (0.43) DUTP2RY6P2RY2P2RY4ABL1
SCHEMBL10376854 0.76 MAPT (0.38) DUTP2RY6P2RY2P2RY4ABL1
SCHEMBL1879258 0.74 DUT (0.65) DUTNLRP3P2RY6P2RY2P2RY4

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 DUT 9/4885NLRP3 2626/4885P2RY6 696/4885
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 DUT 8/4885NLRP3 3263/4885P2RY6 1088/4885

“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.