SCHEMBL21189352

SCHEMBL21189352

CC(C)(C)[S@+]([O-])/N=C1\CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
AKR1C3 P42330 1/20 0.39
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 1/20 0.38
ENPP2 Q13822 1/20 0.38
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PTGES O14684 1/20 0.35
PTPRC P08575 2/20 0.34
NFKB1 P19838 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
SCHEMBL19973518 1.00 TP53 (0.43) TP53AKR1C3RAB9ANPC1SMN1; SMN2
SCHEMBL21189354 1.00 TP53 (0.43) TP53AKR1C3RAB9ANPC1SMN1; SMN2
SCHEMBL19973514 1.00 TP53 (0.43) TP53AKR1C3RAB9ANPC1SMN1; SMN2
SCHEMBL19973516 1.00 TP53 (0.43) TP53AKR1C3RAB9ANPC1SMN1; SMN2
SCHEMBL19973903 0.78 TP53 (0.54) TP53AKR1C3RAB9ANPC1SMN1; SMN2
SCHEMBL30563686 0.77 GPR3 (0.41) RAB9ANPC1MAPTALDH1A1
SCHEMBL26962448 0.77 GPR3 (0.41) RAB9ANPC1MAPTALDH1A1
SCHEMBL20509580 0.75 TP53 (0.53) TP53AKR1C3RAB9ANPC1SMN1; SMN2
SCHEMBL20509623 0.75 TP53 (0.53) TP53AKR1C3RAB9ANPC1SMN1; SMN2
SCHEMBL21189488 0.74 MAPT (0.38) RAB9ANPC1MAOBHPGDMAPT

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-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

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 TP53 166/4885AKR1C3 2093/4885RAB9A 1393/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS TP53 166/4885AKR1C3 2093/4885RAB9A 1393/4885

“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.