SCHEMBL8510407

SCHEMBL8510407

Cc1cn([C@H]2C[C@H](O)[C@@H](C(O)S(C)(=O)=O)O2)c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.60
DHFR P00374 1/20 0.48

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
SCHEMBL6379327 0.88 TK1 (0.67) TK1DHFR
SCHEMBL9011728 0.88 TK1 (0.50) TK1DHFR
SCHEMBL9011727 0.88 TK1 (0.50) TK1DHFR
SCHEMBL2056548 0.86 TK1 (0.54) TK1
SCHEMBL24420522 0.86 TK1 (0.65) TK1DHFR
SCHEMBL19308099 0.86 TK1 (0.65) TK1DHFR
SCHEMBL7537554 0.86 TK1 (0.65) TK1DHFR
SCHEMBL658884 0.86 TK1 (0.65) TK1DHFR
SCHEMBL27054363 0.86 TK1 (0.65) TK1DHFR
SCHEMBL316663 0.86 TK1 (0.65) TK1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2012-05-31 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 (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-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, WRN, ADAR TK1 714/4885DHFR 1636/4885

“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.