SCHEMBL24499831

SCHEMBL24499831

CC(C)(C)c1ccnc(S(C)(=N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 9/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL2616432 0.85 CA1 (0.40) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL8431694 0.80 ALDH1A1 (0.38) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL27417720 0.74 SLC22A12 (0.41) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL27327226 0.74 PTGS1 (0.38) ALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL27417722 0.74 SLC22A12 (0.41) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL24499822 0.73 ALDH1A1 (0.37) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL24499830 0.73 ALDH1A1 (0.37) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL24499303 0.73 ALDH1A1 (0.37) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL22020323 0.71 CCR1 (0.39) ALDH1A1KDM4ELMNATSHR
SCHEMBL14349229 0.71 ALDH1A1 (0.40) CA1CA2CA9ALDH1A1KDM4E

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-20220177470-A1 SULFOXIMINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-06-09 — — 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-20220177470-A1 SULFOXIMINE GLYCOSIDASE INHIBITORS ENGASE, BACE1, GAA CA1 419/4885CA2 1502/4885CA9 499/4885

“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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