SCHEMBL20538746

SCHEMBL20538746

CC(OS(C)(=O)=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.33
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL1485529 1.00 ALDH1A1 (0.48) ALDH1A1CA1CA2CA9CA14
SCHEMBL31154018 1.00 ALDH1A1 (0.48) ALDH1A1CA1CA2CA9CA14
SCHEMBL5698807 0.80 CA2 (0.35) ALDH1A1CA1CA2CA9CA14
SCHEMBL2781939 0.77 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA14
SCHEMBL14339239 0.77 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA14
SCHEMBL4371933 0.77 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA14
SCHEMBL3441094 0.77 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA14
SCHEMBL23224409 0.76 ALDH1A1 (0.44) ALDH1A1CA1CA2CA9CA14
SCHEMBL9590966 0.75 ALDH1A1 (0.48) ALDH1A1USP2TSHR
SCHEMBL9591753 0.75 ALDH1A1 (0.48) ALDH1A1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220399-A1 PYRAZOLOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-10-24 WO disclosed
US-10550125-B2 Prodrugs of imidazotriazine compounds as CK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-04 US disclosed
US-20180305364-A1 PRODRUGS OF IMIDAZOTRIAZINE COMPOUNDS AS CK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-25 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-20180305364-A1 PRODRUGS OF IMIDAZOTRIAZINE COMPOUNDS AS CK2 INHIBITORS CSNK2A1, CSNK1A1, CSNK2A2 ALDH1A1 2768/4885CA1 236/4885CA2 98/4885
US-10550125-B2 Prodrugs of imidazotriazine compounds as CK2 inhibitors CSNK1A1, CSNK2A1, CSNK2A2 ALDH1A1 2268/4885CA1 300/4885CA2 146/4885

“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.