SCHEMBL6853437

SCHEMBL6853437

CC(C)(C)OC(=O)NC(COc1cncc(Br)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.42
CTSS P25774 2/20 0.42
S1PR3 Q99500 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
SCN9A Q15858 1/20 0.40
AAK1 Q2M2I8 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSB P07858 1/20 0.38
MAPT P10636 1/20 0.38
PTPRB P23467 1/20 0.38
SSTR3 P32745 1/20 0.38
GPR88 Q9GZN0 1/20 0.38

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
SCHEMBL6853436 1.00 CTSK (0.42) CTSKCTSSS1PR3GABRB1GABRB2
SCHEMBL6857746 0.83 ATM (0.53) CTSKCTSSAAK1CTSB
SCHEMBL6857744 0.83 ATM (0.53) CTSKCTSSAAK1CTSB
SCHEMBL6855059 0.82 AKT1 (0.44) CTSKCTSSS1PR3CTSBPTPRB
SCHEMBL6855055 0.82 AKT1 (0.44) CTSKCTSSS1PR3CTSBPTPRB
SCHEMBL6853676 0.82 AAK1 (0.43) AAK1
SCHEMBL6853669 0.82 AAK1 (0.43) AAK1
SCHEMBL6855423 0.81 PPARA (0.50) CTSKCTSSAAK1RAB9ACTSB
SCHEMBL6855428 0.81 PPARA (0.50) CTSKCTSSAAK1RAB9ACTSB
SCHEMBL6855122 0.80 AAK1 (0.47) AAK1

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-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

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 CTSK 1070/4885CTSS 3443/4885S1PR3 3449/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CTSK 1070/4885CTSS 3443/4885S1PR3 3449/4885

“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.