SCHEMBL19958440

SCHEMBL19958440

CC(=O)NCC1O[C@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.48
▸ GJB2 P29033 1/20 0.47
▸ LGALS8 O00214 1/20 0.46
▸ LGALS3 P17931 1/20 0.46
▸ LGALS4 P56470 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PYGB P11216 1/20 0.44
▸ SLC28A3 Q9HAS3 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ STAT3 P40763 4/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL19961517 1.00 PTPN1 (0.48) PTPN1GJB2LGALS8LGALS3LGALS4
SCHEMBL30483914 0.87 PYGB (0.47) ALDH1A1THRBPYGB
SCHEMBL9235423 0.87 PYGB (0.47) ALDH1A1THRBPYGB
SCHEMBL20786630 0.85 GLA (0.49) ALDH1A1THRBPYGBMAPK1
SCHEMBL24894017 0.83 CA1 (0.54) LGALS8
SCHEMBL15704433 0.83 CA1 (0.54) LGALS8
SCHEMBL19961988 0.82 LGALS8 (0.45) PTPN1LGALS8LGALS3LGALS4PYGB
SCHEMBL12616099 0.81 CA1 (0.52) LGALS8
SCHEMBL27686935 0.81 ALDH1A1 (0.64) LGALS8LGALS3LGALS4ALDH1A1THRB
Trehalose SCHEMBL19576005 0.80 MEN1 (0.57) PTPN1GJB2LGALS8LGALS3LGALS4

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-20230133705-A1 TREHALOSE ANALOGUES CENTRAL MICHIGAN UNIVERSITY 2023-05-04 — — 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 (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-20230133705-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE PTPN1 1631/4885GJB2 4028/4885LGALS8 422/4885
US-20180072767-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE PTPN1 1631/4885GJB2 4028/4885LGALS8 422/4885

“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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