SCHEMBL6855658

SCHEMBL6855658

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
APP P05067 4/20 0.45
CTSS P25774 6/20 0.44
CTSK P43235 5/20 0.44
PCNA P12004 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ACE P12821 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL18930758 1.00 ATM (0.54) ATMAPPCTSSCTSKPCNA
SCHEMBL6855661 1.00 ATM (0.54) ATMAPPCTSSCTSKPCNA
SCHEMBL27531117 0.88 ATM (0.53) ATMAPPCTSSCTSKCTSL
SCHEMBL27525436 0.88 ATM (0.53) ATMAPPCTSSCTSKCTSL
SCHEMBL6479222 0.87 CTSS (0.57) ATMAPPCTSSCTSKPCNA
SCHEMBL21676555 0.87 ATM (0.55) ATMAPPCTSSCTSKCTSL
SCHEMBL10076447 0.87 ATM (0.55) ATMAPPCTSSCTSKCTSL
SCHEMBL6479218 0.87 CTSS (0.57) ATMAPPCTSSCTSKPCNA
SCHEMBL6479279 0.87 CTSS (0.57) ATMAPPCTSSCTSKPCNA
SCHEMBL29163525 0.86 ATM (0.55) ATMAPPCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925119-A 4- 10 Preparation method of boric acid-L-phenylalanine intermediate 海南普利制药股份有限公司 2023-10-24 CN disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 CN 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 353/4885APP 4630/4885CTSS 3443/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 353/4885APP 4630/4885CTSS 3443/4885

“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.