SCHEMBL22452272

SCHEMBL22452272

CC(C)(C)OC(=O)NCCNCc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 5/20 0.47
FPR2 P25090 5/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
GAA P10253 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
MALT1 Q9UDY8 1/20 0.42

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
SCHEMBL21066539 0.87 PDCD1 (0.49) CA1CA2GAAPDCD1CD274
SCHEMBL4709745 0.87 PDCD1 (0.52) CA1CA2GAAPDCD1CD274
SCHEMBL81094 0.86 FPR3 (0.58) FPR3FPR2CTSSCTSKCA1
SCHEMBL1724201 0.86 GAA (0.60) CA1CA2GAAPDCD1CD274
SCHEMBL12310009 0.86 CA1 (0.47) CA1CA2GAAPDCD1CD274
SCHEMBL6076877 0.86 HPGD (0.49) CTSSCTSKCA1CA2GAA
SCHEMBL22452187 0.86 PDCD1 (0.44) FPR3FPR2CTSSCTSKCA1
SCHEMBL894822 0.85 ATM (0.58) CTSSCTSKCA1CA2GAA
SCHEMBL22605044 0.85 ATM (0.58) CTSSCTSKCA1CA2GAA
SCHEMBL21066545 0.84 KMT2A (0.52) CA1CA2NPC1RAB9ASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11913944-B2 Photoaffinity probes PROMEGA CORPORATION (US) 2024-02-27 US disclosed
US-11913944-B2 Photoaffinity probes PROMEGA CORPORATION (US) 2024-02-27 US disclosed
CN-116723839-A Tricyclic heterobifunctional compounds for degrading target proteins C4医药公司 2023-09-08 CN disclosed
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 US disclosed
US-20200340982-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION 2020-10-29 US disclosed
WO-2020191339-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION (US) 2020-09-24 WO 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 (1 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-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 FPR3 4129/4885FPR2 4201/4885CTSS 2417/4885

“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.