SCHEMBL6230657

SCHEMBL6230657

COc1ccc(C2CC(C(F)(F)F)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.71
CA1 P00915 13/20 0.71
ACHE P22303 8/20 0.69
PTGS1 P23219 4/20 0.60
PTGS2 P35354 4/20 0.60

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
SCHEMBL5857443 0.90 CA2 (0.64) CA2CA1ACHEPTGS1PTGS2
SCHEMBL5858805 0.90 PTGS1 (0.60) CA2CA1ACHEPTGS1PTGS2
SCHEMBL6560048 0.90 PTGS1 (0.60) CA2CA1ACHEPTGS1PTGS2
SCHEMBL5856299 0.84 L3MBTL1 (0.71) CA2CA1PTGS1PTGS2
SCHEMBL6230120 0.80 PTGS2 (0.66) CA2CA1ACHEPTGS1PTGS2
SCHEMBL6560885 0.80 PTGS2 (0.66) CA2CA1ACHEPTGS1PTGS2
SCHEMBL5857939 0.79 PTGS1 (0.64) PTGS1PTGS2
SCHEMBL5856560 0.78 PTGS1 (0.49) CA2CA1ACHEPTGS1PTGS2
SCHEMBL5856792 0.78 PTGS1 (0.63) PTGS1PTGS2
SCHEMBL5857642 0.78 PTGS1 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA2 1414/4885CA1 911/4885ACHE 3821/4885

“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.