SCHEMBL21189253

SCHEMBL21189253

COc1cccc(COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(F)c4)cccc32)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.37
TRPV1 Q8NER1 5/20 0.34
RIPK1 Q13546 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
KMT2A Q03164 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
TP53 P04637 1/20 0.33
AKR1C3 P42330 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21189353 0.91 PTGES (0.36) PTGESTRPV1RXFP1TP53AKR1C3
SCHEMBL21189264 0.87 NPC1 (0.44) TP53ALDH1A1
SCHEMBL21189330 0.87 NPC1 (0.44) TP53ALDH1A1
SCHEMBL19973466 0.87 NPC1 (0.44) TP53ALDH1A1
SCHEMBL21189187 0.87 RAB9A (0.37) PTGESKMT2ATP53AKR1C3ALDH1A1
SCHEMBL21189189 0.87 MEN1 (0.38) KMT2AAKR1C3ALDH1A1
SCHEMBL21189328 0.85 POLB (0.38) PTGESTRPV1KMT2ATP53AKR1C3
SCHEMBL21189326 0.85 NPC1 (0.45) TRPV1KMT2ATP53KDM4E
SCHEMBL21189262 0.84 TP53 (0.42) PTGESTRPV1TP53AKR1C3ALDH1A1
SCHEMBL21189485 0.84 TP53 (0.42) PTGESTRPV1TP53AKR1C3ALDH1A1

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 PTGES 4518/4885TRPV1 3647/4885RIPK1 2935/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS PTGES 4518/4885TRPV1 3647/4885RIPK1 2935/4885

“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.