SCHEMBL1772425

SCHEMBL1772425

CCC(NC(=O)c1nc(CC2CCN(c3ccccc3)CC2)nc(SC)c1O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.38
ITGB1 P05556 8/20 0.38
ITGAV P06756 8/20 0.38
ITGA5 P08648 8/20 0.38
ITGB5 P18084 8/20 0.38
ITGA2B P08514 5/20 0.38
FTO Q9C0B1 2/20 0.36
ITGA4 P13612 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL1772827 0.92 EGLN1 (0.40) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL1773079 0.91 HRH3 (0.38) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL1772612 0.88 EGLN1 (0.46) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL1773634 0.86 POLB (0.39) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL1772689 0.84 EGLN1 (0.43) FTO
SCHEMBL1773441 0.84 EGLN1 (0.50) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL1773022 0.81 POLB (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12602282 0.81 HPGD (0.40) GAAPOLB
SCHEMBL1773530 0.81 EGLN1 (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL1773306 0.80 ITGB3 (0.39) ITGB3ITGB1ITGAVITGA5ITGB5

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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 ITGB3 4005/4885ITGB1 4142/4885ITGAV 4041/4885

“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.