SCHEMBL5435526

SCHEMBL5435526

C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 1/20 0.49
HRH2 P25021 2/20 0.45
HRH1 P35367 2/20 0.45
PREP P48147 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
MEN1 O00255 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
SCHEMBL4766548 1.00 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5451133 1.00 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL23845173 0.98 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5416784 0.98 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL13287349 0.98 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL13399539 0.92 CTSK (0.46) CTSKCTSLCTSBHRH2HRH1
SCHEMBL19982034 0.86 CTSK (0.62) CTSKCTSLCTSBHRH2HRH1
SCHEMBL16709994 0.86 CTSK (0.62) CTSKCTSLCTSBHRH2HRH1
SCHEMBL27610791 0.86 CTSK (0.62) CTSKCTSLCTSBHRH2HRH1
SCHEMBL4180221 0.85 HRH2 (0.49) CTSKCTSLCTSBHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
EP-1633349-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 US disclosed
WO-2004098590-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 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-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 CTSK 967/4885CTSL 2099/4885CTSB 614/4885
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, HRH2 CTSK 890/4885CTSL 1435/4885CTSB 626/4885

“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.