SCHEMBL21159762

SCHEMBL21159762

CC(=O)C(=N)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1NCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
HIF1A Q16665 5/20 0.38
DGAT1 O75907 1/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
USP30 Q70CQ3 1/20 0.33
ROCK1 Q13464 1/20 0.32
PTPRC P08575 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ABCB1 P08183 1/20 0.31
F2 P00734 2/20 0.30
F11 P03951 2/20 0.30
PRSS1 P07477 2/20 0.30
PRSS2 P07478 2/20 0.30
PRSS3 P35030 2/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL16283827 0.77 AAK1 (0.48) PRMT5WDR77AAK1HIF1ADGAT1
SCHEMBL21509658 0.75 AAK1 (0.47) PRMT5WDR77AAK1HIF1ADGAT1
SCHEMBL15589407 0.75 PTPRC (0.41) PTPRCLIPG
SCHEMBL21510059 0.72 AAK1 (0.46) PRMT5WDR77AAK1HIF1ADGAT1
SCHEMBL23792864 0.72 AAK1 (0.46) PRMT5WDR77AAK1HIF1ADGAT1
SCHEMBL15597569 0.72 MTNR1A (0.43) PTPRC
SCHEMBL31113485 0.71 PRMT5 (0.48) PRMT5WDR77AAK1HIF1ADGAT1
SCHEMBL15602241 0.71 CCNT1 (0.34) PTPRCLIPG
SCHEMBL1241037 0.70 LIPG (0.49) PRMT5WDR77AAK1DGAT1LIPG
SCHEMBL18449526 0.70 AAK1 (0.47) PRMT5WDR77AAK1HIF1ADGAT1

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-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 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 (3 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-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 PRMT5 3974/4885WDR77 2765/4885AAK1 3770/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 PRMT5 3887/4885WDR77 2923/4885AAK1 3762/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 PRMT5 3974/4885WDR77 2765/4885AAK1 3770/4885

“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.