SCHEMBL19973522

SCHEMBL19973522

CC(C)(C)[S@+]([O-])NC1CCCc2c(C(=O)O)cccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.40
TAS1R1 Q7RTX1 8/20 0.40
TAS1R2 Q8TE23 8/20 0.40
KDM4E B2RXH2 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B2 P37059 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL19973512 1.00 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2KDM4EFNTA
SCHEMBL19973513 1.00 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2KDM4EFNTA
SCHEMBL20509848 0.93 DRD2 (0.36) TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL21189270 0.85 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KDM4EMEN1
SCHEMBL354999 0.84 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2KDM4EHSD17B2
SCHEMBL3583095 0.82 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2LMNACA1
SCHEMBL19973628 0.80 MAPT (0.40) TAS1R3TAS1R1TAS1R2LMNAKMT2A
SCHEMBL19973627 0.80 MAPT (0.40) TAS1R3TAS1R1TAS1R2LMNAKMT2A
SCHEMBL19973626 0.80 MAPT (0.40) TAS1R3TAS1R1TAS1R2LMNAKMT2A
SCHEMBL19973539 0.78 TRPV1 (0.36)

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 TAS1R3 3760/4885TAS1R1 3802/4885TAS1R2 3995/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS TAS1R3 3760/4885TAS1R1 3802/4885TAS1R2 3995/4885

“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.