SCHEMBL6230120

SCHEMBL6230120

COc1ccc(C2CC(C(F)(F)F)=NN2c2ccc(S(N)(=O)=O)cc2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.66
PTGS1 P23219 7/20 0.66
CA2 P00918 9/20 0.58
CA1 P00915 8/20 0.58
ACHE P22303 6/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL6560885 0.90 PTGS2 (0.66) PTGS2PTGS1CA2CA1ACHE
SCHEMBL5856588 0.89 PTGS1 (0.72) PTGS2PTGS1
SCHEMBL5856299 0.84 L3MBTL1 (0.71) PTGS2PTGS1CA2CA1L3MBTL1
SCHEMBL5856418 0.83 PTGS2 (0.69) PTGS2PTGS1CA2CA1L3MBTL1
SCHEMBL5857487 0.81 PTGS1 (0.70) PTGS2PTGS1CA2CA1L3MBTL1
SCHEMBL5856358 0.81 PTGS1 (0.73) PTGS2PTGS1CA2CA1ACHE
SCHEMBL6230657 0.80 CA2 (0.71) PTGS2PTGS1CA2CA1ACHE
SCHEMBL5858805 0.80 PTGS1 (0.60) PTGS2PTGS1CA2CA1ACHE
SCHEMBL5857443 0.80 CA2 (0.64) PTGS2PTGS1CA2CA1ACHE
SCHEMBL5693292 0.80 PTGS2 (0.71) PTGS2PTGS1CA2CA1L3MBTL1

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 PTGS2 3894/4885PTGS1 1996/4885CA2 1414/4885

“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.