SCHEMBL5058348

SCHEMBL5058348

NC(CO)Cc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PCNA P12004 1/20 0.41
LIG1 P18858 1/20 0.41
IDO1 P14902 2/20 0.40
DPP4 P27487 3/20 0.39
TRPA1 O75762 1/20 0.38
EPHX1 P07099 2/20 0.38
SLC6A4 P31645 2/20 0.35
SLC1A1 P43005 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ANPEP P15144 1/20 0.33
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL8268878 1.00 PCNA (0.41) PCNALIG1IDO1DPP4TRPA1
Trifluoroacetic Acid SCHEMBL4358439 0.88 GRB2 (0.40) PCNALIG1DPP4EPHX1SLC1A1
Trifluoroacetic Acid SCHEMBL4358433 0.88 GRB2 (0.40) PCNALIG1DPP4EPHX1SLC1A1
SCHEMBL4823652 0.82 IDO1 (0.36) IDO1DPP4TRPA1EPHX1SLC1A1
SCHEMBL8271157 0.81 EPHX1 (0.48) TRPA1EPHX1SLC6A4SLC1A1ANPEP
SCHEMBL7967754 0.80 SLC1A1 (0.55) IDO1DPP4EPHX1SLC1A1ANPEP
SCHEMBL5230103 0.80 SLC1A1 (0.55) IDO1DPP4EPHX1SLC1A1ANPEP
SCHEMBL5230112 0.80 SLC1A1 (0.55) IDO1DPP4EPHX1SLC1A1ANPEP
SCHEMBL1568278 0.80 IDO1 (0.41) IDO1DPP4EPHX1SLC6A4SLC1A1
SCHEMBL4874729 0.80 TRPA1 (0.59) IDO1DPP4TRPA1EPHX1SLC6A4

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-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
EP-1802574-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING ETHANOL CYCLICAMINE DERIVATIVES ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2007-07-04 EP disclosed
EP-1789388-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-05-30 EP disclosed
US-20060074098-A1 Methods of treatment of amyloidosis using ethanolcyclicamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-04-06 US disclosed
WO-2006026532-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-03-09 WO disclosed
WO-2006026533-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING ETHANOL CYCLICAMINE DERIVATIVES ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-03-09 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-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors AMY1A, AMY2A, DNPEP PCNA 2516/4885LIG1 2818/4885IDO1 3635/4885
US-20060074098-A1 Methods of treatment of amyloidosis using ethanolcyclicamine aspartyl protease inhibitors DNPEP, AMY1A, AMY2A PCNA 1754/4885LIG1 2284/4885IDO1 3388/4885

“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.