SCHEMBL19958456

SCHEMBL19958456

CC(C)(C)CCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 11/20 0.54
▸ CA2 P00918 11/20 0.54
▸ CA9 Q16790 11/20 0.54
▸ CA12 O43570 7/20 0.54
▸ CA14 Q9ULX7 3/20 0.54
▸ CA7 P43166 3/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ USP2 O75604 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ PLEC Q15149 1/20 0.53
▸ FKBP1A P62942 2/20 0.51
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ HTR3A P46098 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 2/20 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
SCHEMBL19705803 0.88 CA1 (0.54) CA1CA2CA9CA12CA14
SCHEMBL10031014 0.86 USP2 (0.60) CA1CA2CA9CA12CA14
SCHEMBL19817548 0.85 USP2 (0.60) CA1CA2CA9CA12CA14
SCHEMBL10035689 0.84 USP2 (0.59) CA1CA2CA9CA12CA14
SCHEMBL17833664 0.83 USP2 (0.64) CA1CA2CA9CA12CA14
SCHEMBL26083798 0.83 CA1 (0.54) CA1CA2CA9CA12CA14
SCHEMBL19817547 0.83 CA1 (0.59) CA1CA2CA9CA12CA14
SCHEMBL16103947 0.82 USP2 (0.62) CA1CA2CA9CA12CA14
SCHEMBL14510941 0.82 USP2 (0.59) CA1CA2CA9CA12CA14
SCHEMBL22203877 0.79 CA1 (0.66) 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 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 CA1 2754/4885CA2 3388/4885CA9 1512/4885
US-20180072767-A1 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.

Send feedback