SCHEMBL25813293

SCHEMBL25813293

C[C@@H](COc1ncc(Cl)cc1Br)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
AAK1 Q2M2I8 8/20 0.43
S1PR3 Q99500 2/20 0.39
SCN9A Q15858 1/20 0.37
ACACB O00763 2/20 0.37
PTGER1 P34995 1/20 0.37
SYK P43405 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL28995764 1.00 TRPA1 (0.46) TRPA1AAK1S1PR3SCN9AACACB
SCHEMBL25811104 0.88 AAK1 (0.50) TRPA1AAK1SCN9ACA1CA2
SCHEMBL18862943 0.86 TRPA1 (0.46) TRPA1AAK1S1PR3SCN9AACACB
SCHEMBL28604827 0.86 TRPA1 (0.46) TRPA1AAK1S1PR3SCN9AACACB
SCHEMBL25298000 0.84 ACACB (0.39) SCN9AACACBSMN1; SMN2
SCHEMBL25298001 0.84 ACACB (0.39) SCN9AACACBSMN1; SMN2
SCHEMBL18862946 0.83 TRPA1 (0.43) TRPA1AAK1S1PR3SCN9AACACB
SCHEMBL25811855 0.83 S1PR3 (0.47) TRPA1AAK1S1PR3
SCHEMBL28995534 0.83 S1PR3 (0.47) TRPA1AAK1S1PR3
SCHEMBL28599748 0.82 TRPA1 (0.43) TRPA1AAK1S1PR3SCN9AACACB

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 TRPA1 186/4885AAK1 506/4885S1PR3 2650/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 TRPA1 974/4885AAK1 293/4885S1PR3 1492/4885

“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.