SCHEMBL18630409

SCHEMBL18630409

NS(=O)(=O)OC1[C@H]2O[C@@H](n3cnc4c(NCc5ccc(F)cc5)ncnc43)[C@H](O)[C@@]12O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 5/20 0.49
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL18630543 0.86 SLC29A1 (0.41) SLC29A1
SCHEMBL18630613 0.85 ADORA3 (0.52) SLC29A1TSHRTP53ADORA3TDP1
SCHEMBL23080201 0.82 PAX8 (0.47) TSHRNFKB1BLMPMP22ADORA3
SCHEMBL18630524 0.80 ADORA3 (0.56) SLC29A1CYP3A4TSHRNFKB1TP53
SCHEMBL1796050 0.79 SLC29A1 (0.64) SLC29A1TP53ADORA3TDP1
SCHEMBL18630399 0.79 ADORA2B (0.46) SLC29A1TSHRNFKB1PMP22ALDH1A1
SCHEMBL18630522 0.78 ADORA3 (0.56) SLC29A1TSHRTP53ADORA3TDP1
SCHEMBL18631613 0.77 ATG7 (0.44) SLC29A1TSHRNFKB1ADORA3
SCHEMBL1795030 0.76 SLC29A1 (0.64) SLC29A1TP53ADORA3TDP1
SCHEMBL18630476 0.76 DNPH1 (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
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 (2 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 SLC29A1 1761/4885CYP3A4 2208/4885TSHR 4073/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 SLC29A1 3671/4885CYP3A4 957/4885TSHR 4091/4885

“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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