SCHEMBL19961993

SCHEMBL19961993

O=C(CNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)OCC1O[C@H](O[C@H]2OC(CO)[C@@H](O)C(O)C2O)C(O)C(O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 15/20 0.54
▸ CA2 P00918 15/20 0.54
▸ CA9 Q16790 15/20 0.54
▸ CA12 O43570 7/20 0.54
▸ CA14 Q9ULX7 3/20 0.54
▸ CA7 P43166 2/20 0.53
▸ GJA1 P17302 1/20 0.52
▸ GJB2 P29033 1/20 0.52
▸ FKBP1A P62942 2/20 0.49

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
SCHEMBL19961511 0.92 CA1 (0.57) CA1CA2CA9CA12CA14
SCHEMBL19962810 0.92 CA1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL19961504 0.92 CA1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL21944325 0.88 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL15314740 0.86 CA1 (0.63) CA1CA2CA9CA12CA14
SCHEMBL17342554 0.86 CA1 (0.63) CA1CA2CA9CA12CA14
SCHEMBL24797189 0.86 CA1 (0.57) CA1CA2CA9CA12CA14
SCHEMBL19962098 0.86 CA1 (0.57) CA1CA2CA9CA12CA14
SCHEMBL13271743 0.83 CA1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL19962805 0.80 CA12 (0.49) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133705-A1 TREHALOSE ANALOGUES CENTRAL MICHIGAN UNIVERSITY 2023-05-04 — — US disclosed
US-11535642-B2 Trehalose analogues CENTRAL MICHIGAN UNIVERSITY (US) 2022-12-27 — — US disclosed
US-10995110-B2 Trehalose analogues CENTRAL MICHIGAN UNIVERSITY (US) 2021-05-04 — — US disclosed
US-10759821-B2 Trehalose analogues CENTRAL MICHIGAN UNIVERSITY (US) 2020-09-01 — — US disclosed
US-20200115408-A1 TREHALOSE ANALOGUES CENTRAL MICHIGAN UNIVERSITY 2020-04-16 — — US disclosed
US-20180072767-A1 TREHALOSE ANALOGUES NATIONAL SCIENCE FOUNDATION 2018-03-15 — — 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 (6 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-20230133705-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE CA1 2754/4885CA2 3388/4885CA9 1512/4885
US-20200115408-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE CA1 2754/4885CA2 3388/4885CA9 1512/4885
US-10995110-B2 Trehalose analogues TREH, TALDO1, GALE CA1 2754/4885CA2 3388/4885CA9 1512/4885
US-20180072767-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE CA1 2754/4885CA2 3388/4885CA9 1512/4885
US-10759821-B2 Trehalose analogues TREH, TALDO1, GALE CA1 2754/4885CA2 3388/4885CA9 1512/4885
US-11535642-B2 Trehalose analogues TREH, TALDO1, GALE CA1 2754/4885CA2 3388/4885CA9 1512/4885

“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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