SCHEMBL19962805

SCHEMBL19962805

CN(C)c1ccc(/N=N/c2ccc(C(=O)NCCCCCCCCCC(=O)OCC3OC(OC4OC(COC(=O)CCCCCCCCCNC(=S)Nc5ccc(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c(C(=O)O)c5)C(O)C(O)C4O)C(O)C(O)C3O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.49
▸ CA1 P00915 6/20 0.49
▸ CA2 P00918 6/20 0.49
▸ CA9 Q16790 6/20 0.49
▸ SLC5A2 P31639 2/20 0.47
▸ BTK Q06187 3/20 0.46
▸ FKBP1A P62942 3/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ CA7 P43166 1/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ FOLH1 Q04609 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44

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
SCHEMBL19962804 1.00 CA12 (0.49) CA12CA1CA2CA9SLC5A2
SCHEMBL19962100 0.96 CA12 (0.46) CA12CA1CA2CA9SLC5A2
SCHEMBL24797010 0.91 CA12 (0.43) CA12CA1CA2CA9SLC5A2
SCHEMBL24797007 0.91 CA12 (0.43) CA12CA1CA2CA9SLC5A2
SCHEMBL19961504 0.87 CA1 (0.56) CA12CA1CA2CA9SLC5A2
SCHEMBL19962810 0.87 CA1 (0.56) CA12CA1CA2CA9SLC5A2
SCHEMBL24797189 0.87 CA1 (0.57) CA12CA1CA2CA9FKBP1A
SCHEMBL19962098 0.87 CA1 (0.57) CA12CA1CA2CA9FKBP1A
SCHEMBL19961511 0.87 CA1 (0.57) CA12CA1CA2CA9SLC5A2
SCHEMBL19961993 0.80 CA1 (0.54) CA12CA1CA2CA9FKBP1A

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
US-20230133705-A1 TREHALOSE ANALOGUES CENTRAL MICHIGAN UNIVERSITY 2023-05-04 — — US disclosed
US-10759821-B2 Trehalose analogues CENTRAL MICHIGAN UNIVERSITY (US) 2020-09-01 — — 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 (3 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 CA12 1817/4885CA1 2754/4885CA2 3388/4885
US-20180072767-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE CA12 1817/4885CA1 2754/4885CA2 3388/4885
US-10759821-B2 Trehalose analogues TREH, TALDO1, GALE CA12 1817/4885CA1 2754/4885CA2 3388/4885

“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.

Send feedback