SCHEMBL25811855

SCHEMBL25811855

CC(C)(C)OC(=O)N[C@H](COc1ncc(Cl)cc1Br)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.47
TRPA1 O75762 1/20 0.41
CTSK P43235 4/20 0.40
CTSS P25774 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
SSTR3 P32745 1/20 0.39
MAPK1 P28482 1/20 0.37
CTSL P07711 1/20 0.37
PTPRB P23467 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28995534 1.00 S1PR3 (0.47) S1PR3TRPA1CTSKCTSSAAK1
SCHEMBL25291402 0.86 PSMB5 (0.40) MAPK1
SCHEMBL25291401 0.86 PSMB5 (0.40) MAPK1
SCHEMBL28995764 0.83 TRPA1 (0.46) S1PR3TRPA1AAK1
SCHEMBL25813293 0.83 TRPA1 (0.46) S1PR3TRPA1AAK1
SCHEMBL25807459 0.82 PPARA (0.48) S1PR3TRPA1CTSSAAK1CTSL
SCHEMBL30491806 0.82 PPARA (0.48) S1PR3TRPA1CTSSAAK1CTSL
SCHEMBL28995593 0.82 PPARA (0.48) S1PR3TRPA1CTSSAAK1CTSL
SCHEMBL28995636 0.80 AAK1 (0.45) TRPA1CTSKCTSSAAK1MAPK1
SCHEMBL25811518 0.80 AAK1 (0.45) TRPA1CTSKCTSSAAK1MAPK1

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-12583866-B2 Pyrido[2,3-b][1,4]oxazines or tetrahydropyrido[2,3-b][1,4]oxazepines as IAP antagonists BEONE MEDICINES I GMBH (CH) 2026-03-24 US disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 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-12583866-B2 Pyrido[2,3-b][1,4]oxazines or tetrahydropyrido[2,3-b][1,4]oxazepines as IAP antagonists BIRC2, BIRC3, BIRC5 S1PR3 2650/4885TRPA1 186/4885CTSK 2306/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 S1PR3 1492/4885TRPA1 974/4885CTSK 3375/4885

“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.