SCHEMBL5693262

SCHEMBL5693262

CS(=O)(=O)c1ccc(C2CC(C(F)(F)F)=NN2c2ccc(F)cc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.59
PTGS1 P23219 9/20 0.59
PDE5A O76074 1/20 0.49
PRKCZ Q05513 2/20 0.43

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
SCHEMBL5713135 0.89 PDE5A (0.60) PTGS2PTGS1PDE5APRKCZ
SCHEMBL5693452 0.87 PTGS2 (0.64) PTGS2PTGS1PDE5APRKCZ
SCHEMBL5693253 0.85 PTGS2 (0.71) PTGS2PTGS1PDE5APRKCZ
SCHEMBL5693277 0.85 PTGS2 (0.71) PTGS2PTGS1PDE5APRKCZ
SCHEMBL5693347 0.83 PTGS2 (0.66) PTGS2PTGS1PDE5APRKCZ
SCHEMBL17158160 0.83 PTGS2 (0.46) PTGS2PTGS1PDE5APRKCZ
SCHEMBL5713114 0.83 PRKCZ (0.43) PTGS2PTGS1PDE5APRKCZ
SCHEMBL5693301 0.83 PTGS2 (0.59) PTGS2PTGS1PDE5A
SCHEMBL5693239 0.82 PTGS2 (0.58) PTGS2PTGS1PDE5A
SCHEMBL17158056 0.81 PTGS2 (0.42) PTGS2PTGS1PDE5APRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1384477-B1 UTILIZATION OF PYRAZOLINE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE PREVENTION AND/OR TREATMENT OF PROLIFERATIVE CELL DISEASES ESTEVE LABOR DR (ES) 2006-05-24 EP claimed
US-RE38963-E1 Pyrazoline derivatives, their preparation and application as medicaments LABORATORIOS DEL DR. ESTEVE (ES) 2006-01-31 US 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-1408035-B1 METHOD OF PREPARING DERIVATIVES OF 1.5-DIARYL-3-TRIFLUOROMETHYL-DELTA2-PYRAZOLINES THAT ARE RACEMIC AND ENANTIOMERICALLY PURE ESTEVE LABOR DR (ES) 2006-01-04 EP disclosed
US-6958403-B2 Procedure for the preparation of racemic and enantiomerically pure derivatives of 1,5 diaryl-3-trifluorromethyl-Δ2-pyrazolines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-25 US disclosed
US-20050096373-A1 Procedure for the preparation of racemic and enantiomerically pure derivatives O F 1,5 diaryl-3-trifluorromethyl-delta2-pyrazolines LABORATORIES DEL DR. ESTEVE, S.A. 2005-05-05 US disclosed
US-20050096474-A1 Procedure for the preparation of racemic derivatives of 1,5-diaryl-3-trifluoromethyl-delta2-pyrazolines LABORATORIES DEL DR. ESTEVE, S.A. 2005-05-05 US disclosed
US-6846935-B2 Procedure for the preparation of racemic and enantionmerically pure derivatives of 1,5-diaryl-3-trifluoromethyl-Δ2-pyrazolines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-01-25 US disclosed
EP-1408035-A1 METHOD OF PREPARING DERIVATIVES OF 1.5-DIARYL-3-TRIFLUOROMETHYL-DELTA2-PYRAZOLINES THAT ARE RACEMIC AND ENANTIOMERICALLY PURE LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-04-14 EP disclosed
US-20040019222-A1 Method of preparing derivatives of 1,5-diaryl-3-trifluoromethyl-delta2-pyrazolines that are racemic and enantiomerically pure LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-01-29 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 (4 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-20050096474-A1 Procedure for the preparation of racemic derivatives of 1,5-diaryl-3-trifluoromethyl-delta2-pyrazolines CLIC1, PEAK1, SIGMAR1 PTGS2 3685/4885PTGS1 1307/4885PDE5A 1356/4885
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 1996/4885PDE5A 4420/4885
US-20040019222-A1 Method of preparing derivatives of 1,5-diaryl-3-trifluoromethyl-delta2-pyrazolines that are racemic and enantiomerically pure CLIC1, SRD5A1, PEAK1 PTGS2 3156/4885PTGS1 1227/4885PDE5A 1166/4885
US-20050096373-A1 Procedure for the preparation of racemic and enantiomerically pure derivatives O F 1,5 diaryl-3-trifluorromethyl-delta2-pyrazolines CLIC1, SRD5A1, PEAK1 PTGS2 3711/4885PTGS1 1253/4885PDE5A 1483/4885

“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.