SCHEMBL5857979

SCHEMBL5857979

NS(=O)(=O)c1ccc(N2N=C(C(=O)O)CC2c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.69
▸ CA1 P00915 9/20 0.67
▸ CA2 P00918 9/20 0.67
▸ L3MBTL1 Q9Y468 6/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ GAA P10253 4/20 0.67
▸ MAPT P10636 4/20 0.67
▸ GLA P06280 3/20 0.67
▸ HPGD P15428 3/20 0.67
▸ CFTR P13569 1/20 0.67
▸ GOPC Q9HD26 1/20 0.67
▸ CA12 O43570 1/20 0.64
▸ CA9 Q16790 1/20 0.64
▸ ATM Q13315 4/20 0.58
▸ LMNA P02545 1/20 0.58
▸ PDE5A O76074 1/20 0.55
▸ CDC42 P60953 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HTT P42858 1/20 0.55

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
SCHEMBL5856375 0.91 CA1 (0.66) PTGS2CA1CA2L3MBTL1KDM4E
SCHEMBL5857615 0.89 CA1 (0.64) PTGS2CA1CA2L3MBTL1KDM4E
SCHEMBL5857887 0.87 CA2 (0.61) PTGS2CA1CA2L3MBTL1KDM4E
SCHEMBL27493660 0.87 PTGS2 (0.60) PTGS2CA1CA2L3MBTL1KDM4E
SCHEMBL5591235 0.85 PDE5A (0.58) PTGS2L3MBTL1KDM4EMAPTGLA
SCHEMBL6227020 0.81 CA1 (0.63) PTGS2CA1CA2L3MBTL1KDM4E
SCHEMBL1023193 0.81 CNR1 (0.58) CA1CA2L3MBTL1ALDH1A1LMNA
SCHEMBL14484122 0.81 CA1 (1.00) PTGS2CA1CA2L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL1039418 0.80 CNR1 (0.57) CA1CA2L3MBTL1ALDH1A1ATM
SCHEMBL5856684 0.79 CA1 (0.60) PTGS2CA1CA2L3MBTL1KDM4E

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 11 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
CN-1698602-A Usage of pyrazoline derivant in the drug preparation for preventing and/or treating cell breeding disease ESTEVE LABOR DR (ES) 2005-11-23 — — CN 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
CN-1189459-C Pyrazoline derivatives, process for their preparation and their use as medicaments ESTEVE LABOR DR (ES) 2005-02-16 — — CN claimed
CN-1509171-A Use of pyrazoline derivatives for the preparation of a medicament for the prevention and/or treatment of cell proliferative diseases ��˹���IJ�ʿʵ���ҹɷ����޹�˾ 2004-06-30 — — CN 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
CN-1307566-A Pyrazoline derivatives, their prep. and application as medicaments ESTEVE LABOR DR (ES) 2001-08-08 — — CN 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 3894/4885CA1 911/4885CA2 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.

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