SCHEMBL5857409

SCHEMBL5857409

NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)CC2c2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.71
PTGS1 P23219 7/20 0.71
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 3/20 0.65
GLA P06280 3/20 0.65
GAA P10253 3/20 0.65
MAPT P10636 3/20 0.65
HPGD P15428 3/20 0.65
ATM Q13315 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
PDE5A O76074 1/20 0.63
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
MEN1 O00255 1/20 0.62
S1PR2 O95136 1/20 0.62
S1PR4 O95977 1/20 0.62
S1PR1 P21453 1/20 0.62
NTSR1 P30989 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL5693292 1.00 PTGS2 (0.71) PTGS2PTGS1KDM4EALDH1A1LMNA
SCHEMBL5856418 0.89 PTGS2 (0.69) PTGS2PTGS1L3MBTL1CA1CA2
SCHEMBL4022706 0.89 PTGS2 (0.76) PTGS2PTGS1KDM4EALDH1A1LMNA
SCHEMBL4020011 0.89 PTGS2 (0.76) PTGS2PTGS1KDM4EALDH1A1LMNA
SCHEMBL5693277 0.88 PTGS2 (0.71) PTGS2PTGS1KDM4EALDH1A1LMNA
SCHEMBL5693253 0.88 PTGS2 (0.71) PTGS2PTGS1KDM4EALDH1A1LMNA
SCHEMBL5856358 0.87 PTGS1 (0.73) PTGS2PTGS1CA1CA2
SCHEMBL5858023 0.86 PTGS1 (0.72) PTGS2PTGS1KDM4EALDH1A1GAA
SCHEMBL5856299 0.86 L3MBTL1 (0.71) PTGS2PTGS1KDM4EALDH1A1GLA
SCHEMBL6228120 0.86 PTGS2 (0.69) PTGS2PTGS1KDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38963-E1 Pyrazoline derivatives, their preparation and application as medicaments LABORATORIOS DEL DR. ESTEVE (ES) 2006-01-31 US claimed
EP-1516621-A2 Use of pyrazoline derivatives in the preparation of a medicament for the prevention and/or treatment of cell proliferation diseases LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-03-23 EP claimed
EP-1083171-B1 PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2004-04-28 EP claimed
US-20040034082-A1 Utilization of pyrazoline derivatives in the preparation of a medicament for the prevention and/or treatment of proliferative cell diseases LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-02-19 US claimed
EP-1384477-A1 UTILIZATION OF PYRAZOLINE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE PREVENTION AND/OR TREATMENT OF PROLIFERATIVE CELL DISEASES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-01-28 EP claimed
US-6353117-B1 ANTIINFLAMMATORY ACTIVITY AND DISEASES IN WHICH CYCLOOXYGENASE-2 PLAYS A PART, WITHOUT HAVING THE GASTRIC AND RENAL TOXICITY OF THE CLASSIC NONSTEROIDAL ANTIINFLAMMATORY AGENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2002-03-05 US claimed
EP-1083171-A1 PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2001-03-14 EP claimed
EP-1539169-A2 AMYOTROPHIC LATERAL SCLEROSIS TREATMENT WITH CYCLOOXYGENASE-2 INHIBITORS Pharmacia Corporation (US) 2005-06-15 EP disclosed
WO-2003101380-A2 AMYOTROPHIC LATERAL SCLEROSIS TREATMENT WITH CYCLOOXYGENASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2003-12-11 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 (1 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-20040034082-A1 Utilization of pyrazoline derivatives in the preparation of a medicament for the prevention and/or treatment of proliferative cell diseases VHL, MET, PRMT1 PTGS2 3894/4885PTGS1 1996/4885KDM4E 1182/4885

“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.