SCHEMBL18630439

SCHEMBL18630439

NS(=O)(=O)OC1O[C@@H](n2ccc3cnccc32)C[C@@H]1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ TK1 P04183 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ DNMT1 P26358 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CDC7 O00311 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL12617990 1.00 RAPGEF4 (0.32) RAPGEF4TK1ADRB1DNMT1POLB
SCHEMBL1795916 0.82 ATG7 (0.44) —
SCHEMBL1799615 0.77 ADRB1 (0.46) TK1ADRB1DNMT1
SCHEMBL23982318 0.77 ADRB1 (0.46) TK1ADRB1DNMT1
SCHEMBL1795979 0.69 POLB (0.36) ADRB1DNMT1POLB
SCHEMBL1795315 0.67 ATG7 (0.52) —
SCHEMBL20419147 0.63 LMNA (0.54) DNMT1
SCHEMBL26707698 0.62 AOC3 (0.41) RAPGEF4CDC7CDK2
SCHEMBL1799305 0.62 ATG7 (0.45) —
SCHEMBL1797175 0.62 UPP1 (0.43) POLB

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-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — 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-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 RAPGEF4 2336/4885TK1 24/4885ADRB1 3455/4885

“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.

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