SCHEMBL35087

SCHEMBL35087

Nc1nc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2OF)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 9/20 0.54
HINT1 P49773 5/20 0.49
GSK3A P49840 2/20 0.46
RPS6KA3 P51812 2/20 0.46
MAPK14 Q16539 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
NT5E P21589 2/20 0.45
PNP P00491 1/20 0.45

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
SCHEMBL8613722 0.91 TYMP (0.55) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL8613718 0.91 TYMP (0.55) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL34927 0.89 TYMP (0.64) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL34234 0.89 TYMP (0.64) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL10904155 0.84 TYMP (0.76) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL1904550 0.84 TYMP (0.76) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL8614529 0.82 TYMP (0.53) TYMPHINT1NT5E
SCHEMBL8613382 0.81 TYMP (0.47) TYMPNT5E
SCHEMBL16702978 0.80 TYMP (0.68) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL18042134 0.80 TYMP (0.68) TYMPHINT1GSK3ARPS6KA3MAPK14

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
US-20210187133-A1 Compounds and Methods of Making Compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-06-24 US disclosed
US-20150118157-A1 Compounds and Methods of Making Compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-04-30 US disclosed
US-9011817-B2 Compounds and methods of making compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-04-21 US disclosed
US-20110059014-A1 COMPOUNDS AND METHODS OF MAKING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-10 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 (3 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-20150118157-A1 Compounds and Methods of Making Compounds MCL1, TOP2B, TOP1 TYMP 1956/4885HINT1 2653/4885GSK3A 2610/4885
US-20210187133-A1 Compounds and Methods of Making Compounds MCL1, TOP1, TOP2B TYMP 1765/4885HINT1 2568/4885GSK3A 2881/4885
US-20110059014-A1 COMPOUNDS AND METHODS OF MAKING COMPOUNDS MCL1, TOP2B, TOP1 TYMP 1956/4885HINT1 2653/4885GSK3A 2610/4885

“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.