SCHEMBL2497873

SCHEMBL2497873

O=C(CCCC(CNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)NCC#Cc1cc([N+](=O)[O-])n([C@H]2C[C@H](O)[C@@H](CO)O2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 3/20 0.37
LGALS3 P17931 2/20 0.37
ALB P02768 1/20 0.35
MMP14 P50281 1/20 0.33
NR1H2 P55055 1/20 0.32
ITPR3 Q14573 1/20 0.32
NT5E P21589 2/20 0.31
P2RY14 Q15391 1/20 0.31
CNR1 P21554 2/20 0.31
FTO Q9C0B1 1/20 0.30

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
SCHEMBL2497281 0.84 LGALS1 (0.40) LGALS1LGALS3ALBMMP14ITPR3
SCHEMBL3205335 0.80 CYP1A2 (0.31)
SCHEMBL18643292 0.72 TYMS (0.35)
SCHEMBL18643293 0.72 TYMS (0.35)
SCHEMBL16681938 0.72 TYMS (0.35)
SCHEMBL16681939 0.70 HDAC1 (0.36)
SCHEMBL18643571 0.70 HDAC1 (0.36)
SCHEMBL16104239 0.69 TYMS (0.36)
SCHEMBL14979297 0.69 TYMS (0.36)
SCHEMBL16675570 0.69 TYMS (0.36)

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
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP disclosed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 EP 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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT LGALS1 4611/4885LGALS3 4637/4885ALB 2671/4885

“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.