SCHEMBL21116730

SCHEMBL21116730

Cc1ccc(C(OS(C)(=O)=O)C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.38
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ACHE P22303 1/20 0.35
KEAP1 Q14145 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
SCHEMBL19716485 0.84 F9 (0.39) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL19716845 0.84 PARP10 (0.47) ALDH1A1CA1CA2CA9CYP2C19
SCHEMBL19734828 0.84 F9 (0.39) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL16446497 0.84 ALDH1A1 (0.46) ALOX5LMNAALDH1A1CYP2C19PKM
SCHEMBL26354540 0.83 CA2 (0.39) ALDH1A1GAACA1CA2CA9
SCHEMBL19716753 0.83 CA1 (0.46) ALOX5ALDH1A1GAAF2PRSS1
SCHEMBL26354580 0.83 CA2 (0.39) ALDH1A1GAACA1CA2CA9
SCHEMBL29658783 0.82 ALDH1A1 (0.45) ALOX5LMNAALDH1A1CYP2C19PKM
Water SCHEMBL8819165 0.82 ALDH1A1 (0.45) ALOX5LMNAALDH1A1CYP2C19PKM
SCHEMBL19716608 0.81 MAPK1 (0.40) LMNAALDH1A1CYP2C19MAPK1

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-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 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-10975056-B2 Substituted pyridines as inhibitors of DNMT1 DNMT1, DNMT3A, DNMT3B ALOX5 4804/4885LMNA 807/4885ALDH1A1 496/4885
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B ALOX5 4804/4885LMNA 807/4885ALDH1A1 496/4885

“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.