SCHEMBL4002014

SCHEMBL4002014

O=C1CC(F)(F)CC(=O)N1Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.53
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
CTSG P08311 1/20 0.53
CMA1 P23946 1/20 0.53
CTRC Q99895 1/20 0.53
GSK3A P49840 4/20 0.51
GSK3B P49841 4/20 0.51
MGLL Q99685 1/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
APAF1 O14727 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL16714701 0.82 ELANE (0.51) ELANEF2PLGCTSGCMA1
SCHEMBL21193209 0.81 ELANE (0.53) ELANEF2PLGCTSGCMA1
SCHEMBL1352319 0.81 ELANE (0.59) ELANEF2PLGCTSGCMA1
SCHEMBL290791 0.78 POLB (0.70) ELANEF2PLGCTSGCMA1
SCHEMBL8416125 0.78 ELANE (0.55) ELANEF2PLGCTSGCMA1
SCHEMBL16397249 0.76 ELANE (0.53) ELANEF2PLGCTSGCMA1
SCHEMBL2257976 0.75 ELANE (0.61) ELANEF2PLGCTSGCMA1
SCHEMBL2435976 0.75 ELANE (0.51) ELANEF2PLGCTSGCMA1
SCHEMBL40679 0.75 POLB (0.61) ELANEF2PLGCTSGCMA1
Bicarbonate SCHEMBL25171118 0.73 POLB (0.64) ELANEF2PLGCTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258902-A1 BIPHENYL-PYRAZOLECARBOXAMIDE COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2009-10-15 US disclosed
US-7514068-B2 Biphenyl-pyrazolecarboxamide compounds CONCERT PHARMACEUTICALS INC. (US) 2009-04-07 US disclosed
US-20070276001-A1 Biphenyl-pyrazolecarboxamide compounds CONCERT PHARMACEUTICALS INC. (US) 2007-11-29 US disclosed
WO-2007033366-A2 BIPHENYL-PYRAZOLECARBOXAMIDE COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2007-03-22 WO disclosed
US-20070066657-A1 obesity, smoking cessation, and normalization of blood lipid composition; reduced rates of hepatic oxidative metabolism, ability to penetrate the blood-brain barrier; 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(trideuteromethyl)-1H-pyrazole-3-carboxylic acid; cannabinoid receptor antagonist CONCERT PHARMACEUTICALS INC. (US) 2007-03-22 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 (3 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-20090258902-A1 BIPHENYL-PYRAZOLECARBOXAMIDE COMPOUNDS CNR2, CNR1, GPR119 ELANE 1666/4885F2 1407/4885PLG 1179/4885
US-20070276001-A1 Biphenyl-pyrazolecarboxamide compounds CNR2, CNR1, GPR119 ELANE 1666/4885F2 1407/4885PLG 1179/4885
US-20070066657-A1 obesity, smoking cessation, and normalization of blood lipid composition; reduced rates of hepatic oxidative metabolism, ability to penetrate the blood-brain barrier; 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(trideuteromethyl)-1H-pyrazole-3-carboxylic acid; cannabinoid receptor antagonist CNR2, CNR1, GPR119 ELANE 2540/4885F2 1090/4885PLG 1104/4885

“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.