SCHEMBL6835510

SCHEMBL6835510

CC(C)(C)OC(=O)NCC(CO)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
SYK P43405 1/20 0.54
CTSS P25774 6/20 0.52
CTSK P43235 4/20 0.52
CTSB P07858 2/20 0.52
CTSL P07711 1/20 0.52
ACE P12821 1/20 0.47
IDO1 P14902 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
AKT1 P31749 3/20 0.46
APP P05067 2/20 0.45
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL13109024 1.00 ATM (0.54) ATMSYKCTSSCTSKCTSB
SCHEMBL7408378 0.89 ATM (0.54) ATMSYKCTSSCTSKCTSB
SCHEMBL6873969 0.89 CTSS (0.50) ATMSYKCTSSCTSKCTSB
SCHEMBL18748463 0.88 ATM (0.53) ATMSYKCTSSCTSKCTSB
SCHEMBL21609299 0.88 ATM (0.53) ATMSYKCTSSCTSKCTSB
SCHEMBL6874791 0.88 ATM (0.53) ATMSYKCTSSCTSKCTSB
SCHEMBL12295159 0.88 ATM (0.53) ATMSYKCTSSCTSKCTSB
SCHEMBL12166523 0.85 ATM (0.51) ATMSYKCTSSCTSKCTSB
SCHEMBL6874903 0.84 SYK (0.50) ATMSYKCTSSCTSKCTSB
SCHEMBL7427102 0.83 SYK (0.49) ATMSYKCTSSCTSKCTSB

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
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
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP 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
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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 (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 353/4885SYK 588/4885CTSS 3443/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 353/4885SYK 588/4885CTSS 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.