SCHEMBL21189267

SCHEMBL21189267

COC(=O)N[C@H]1CCOc2c(C(=O)Nc3cc(F)c(F)c(F)c3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 8/20 0.38
PTGES O14684 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ENPP2 Q13822 1/20 0.36
MAPK1 P28482 1/20 0.35
APOB P04114 1/20 0.35
MTTP P55157 1/20 0.35

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
SCHEMBL21189262 0.91 TP53 (0.42) AKR1C3ALDH1A1TRPV1PTGESNPC1
SCHEMBL21189485 0.91 TP53 (0.42) AKR1C3ALDH1A1TRPV1PTGESNPC1
SCHEMBL21189206 0.91 TP53 (0.42) AKR1C3ALDH1A1TRPV1PTGESNPC1
SCHEMBL21189350 0.91 TRPV1 (0.38) ALDH1A1L3MBTL1TRPV1PTGESNPC1
SCHEMBL19973999 0.89 AKR1C3 (0.40) AKR1C3TRPV1PTGESTAS1R3TAS1R1
SCHEMBL19974000 0.89 AKR1C3 (0.40) AKR1C3TRPV1PTGESTAS1R3TAS1R1
SCHEMBL21189281 0.88 LMNA (0.41) ALDH1A1L3MBTL1TRPV1NPC1RAB9A
SCHEMBL21189284 0.87 APOB (0.42) TRPV1PTGESNPC1RAB9ATP53
SCHEMBL21189278 0.87 FADS1 (0.46) ALDH1A1PTGESNPC1RAB9AHPGD
SCHEMBL21189407 0.86 CREBBP (0.42) ALDH1A1NPC1RAB9ATP53HPGD

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 AKR1C3 2093/4885ALDH1A1 3241/4885L3MBTL1 2663/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS AKR1C3 2093/4885ALDH1A1 3241/4885L3MBTL1 2663/4885

“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.