SCHEMBL19973616

SCHEMBL19973616

CC(C)(C)[S+]([O-])N[C@H]1CCOc2c(C(=O)O)cc([N+](=O)[O-])cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
AKR1B1 P15121 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19973610 1.00 MAPT (0.34) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL19973608 1.00 MAPT (0.34) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL21189200 0.86 SMN1; SMN2 (0.37) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL19973894 0.82 MAPT (0.35) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL19973897 0.82 MAPT (0.35) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL19973895 0.82 MAPT (0.35) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL19973539 0.79 TRPV1 (0.36)
SCHEMBL19973540 0.79 TRPV1 (0.36)
SCHEMBL19973547 0.79 TRPV1 (0.36)
SCHEMBL30783447 0.69 TERT (0.32)

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-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 US disclosed
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 WO 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS MAPT 3165/4885HTT 2199/4885ALDH1A1 3241/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS MAPT 3165/4885HTT 2199/4885ALDH1A1 3241/4885

“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.