SCHEMBL4058648

SCHEMBL4058648

CCCC(NC(=O)CC1CCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NOD1 Q9Y239 2/20 0.42
LMNA P02545 1/20 0.41
EPHX2 P34913 2/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
CPB2 Q96IY4 4/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
FPR2 P25090 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4057394 0.98 EPHX1 (0.45) SMN1; SMN2EPHX1HPGDKMT2ANOD1
SCHEMBL4055964 0.93 NOD1 (0.44) SMN1; SMN2NOD1LMNAEPHX2GRN
SCHEMBL8895660 0.81 ALDH1A1 (0.53) EPHX1HPGDKMT2ALMNAGRN
SCHEMBL5275396 0.80 EPHX2 (0.44) EPHX1HPGDKMT2AEPHX2GRN
SCHEMBL17771353 0.80 CPB2 (0.57) CPB2
SCHEMBL5275391 0.80 EPHX2 (0.44) EPHX1HPGDKMT2AEPHX2GRN
SCHEMBL6138088 0.80 HPGD (0.49) EPHX1HPGDKMT2AEPHX2GRN
SCHEMBL6138089 0.80 HPGD (0.49) EPHX1HPGDKMT2AEPHX2GRN
SCHEMBL31446724 0.80 GRN (0.39) EPHX1HPGDKMT2ANOD1EPHX2
SCHEMBL4313039 0.79 ALDH1A1 (0.51) EPHX1HPGDKMT2ALMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US claimed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US claimed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US claimed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
US-7521464-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. (US) 2009-04-21 US disclosed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US disclosed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US disclosed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US disclosed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders APP, PARK7, BACE1 SMN1; SMN2 520/4885EPHX1 3123/4885HPGD 2210/4885
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 SMN1; SMN2 1395/4885EPHX1 2985/4885HPGD 3399/4885

“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.