SCHEMBL5693258

SCHEMBL5693258

CC1=NN(c2ccc(S(C)(=O)=O)cc2)C(c2ccc(C)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PTGS1 P23219 4/20 0.49
PRKCZ Q05513 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
PDE5A O76074 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
SCHEMBL5693257 0.89 PTGS2 (0.66) PTGS2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5693269 0.89 MAPT (0.59) PTGS2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5856383 0.88 CA1 (0.67) PTGS2ALDH1A1MAPTHTTCA1
SCHEMBL5693225 0.86 PTGS2 (0.55) PTGS2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL27493301 0.86 PTGS2 (0.51) PTGS2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5693318 0.83 PTGS2 (0.48) PTGS2CA1CA2PTGS1PRKCZ
SCHEMBL5693256 0.83 PTGS2 (0.71) PTGS2PTGS1PRKCZPDE5A
SCHEMBL5693352 0.83 PTGS2 (0.71) PTGS2PTGS1PRKCZPDE5A
SCHEMBL5693215 0.83 PTGS2 (0.64) PTGS2CA1CA2PRKCZPDE5A
SCHEMBL5693224 0.82 PTGS2 (0.54) PTGS2CA1CA2PTGS1PRKCZ

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
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

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 3894/4885ALDH1A1 2430/4885MAPT 4760/4885

“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.