SCHEMBL4064748

SCHEMBL4064748

O=C(Cc1cc(F)cc(F)c1)NC1(C(=O)O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 3/20 0.40
SHMT2 P34897 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
FABP4 P15090 3/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
FABP5 Q01469 2/20 0.40
ERAP1 Q9NZ08 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK8 P45983 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRB2 P07550 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
METAP2 P50579 1/20 0.35

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
SCHEMBL13502664 0.98 CNR2 (0.42) SHMT1SHMT2SIGMAR1FABP4CNR2
SCHEMBL4061026 0.94 SIGMAR1 (0.42) SHMT1SHMT2SIGMAR1FABP4CNR2
SCHEMBL14370433 0.85 MEN1 (0.41) SIGMAR1CNR2CNR1MEN1KMT2A
SCHEMBL13502665 0.83 MAPT (0.42) SIGMAR1MEN1KMT2AMAPK8HTT
SCHEMBL1839710 0.78 ALDH1A1 (0.58) CNR2MEN1KMT2AHTTALDH1A1
SCHEMBL5102084 0.75 CYP19A1 (0.49) SHMT1SHMT2SIGMAR1HTTALDH1A1
SCHEMBL23242481 0.72 CTSB (0.37) SHMT1SHMT2CNR2CNR1HTT
SCHEMBL22819337 0.72 LPAR1 (0.35) SHMT1SHMT2CNR2CNR1HTT
SCHEMBL23242479 0.71 CNR1 (0.52) CNR2CNR1MAPK8HTTALDH1A1
SCHEMBL21560295 0.71 SHMT1 (0.66) SHMT1SHMT2HTTALDH1A1SMN1; SMN2

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 SHMT1 2753/4885SHMT2 1471/4885SIGMAR1 2390/4885
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 SHMT1 3562/4885SHMT2 3738/4885SIGMAR1 1898/4885

“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.