SCHEMBL5857528

SCHEMBL5857528

NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)CC2c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.69
PTGS2 P35354 9/20 0.69
PRKCZ Q05513 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50

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
SCHEMBL5856358 0.90 PTGS1 (0.73) PTGS1PTGS2
SCHEMBL5857409 0.84 PTGS2 (0.71) PTGS1PTGS2MMP2MMP9
SCHEMBL5693292 0.84 PTGS2 (0.71) PTGS1PTGS2MMP2MMP9
SCHEMBL5858890 0.83 PTGS1 (0.63) PTGS1PTGS2
SCHEMBL5856588 0.83 PTGS1 (0.72) PTGS1PTGS2MMP2MMP9
SCHEMBL5858023 0.83 PTGS1 (0.72) PTGS1PTGS2MMP2MMP9
SCHEMBL6560885 0.82 PTGS2 (0.66) PTGS1PTGS2
SCHEMBL5858765 0.82 PTGS2 (0.64) PTGS1PTGS2
SCHEMBL5856418 0.81 PTGS2 (0.69) PTGS1PTGS2MMP2MMP9
SCHEMBL5708635 0.81 PTGS2 (0.69) PTGS1PTGS2

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 7 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

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 PTGS1 1996/4885PTGS2 3894/4885PRKCZ 1080/4885

“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.