SCHEMBL6949077

SCHEMBL6949077

CS(=O)(=O)OC[C@@H]1C[C@@H](OCc2ccccc2)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.50
BDKRB2 P30411 2/20 0.47
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 4/20 0.39
CASP7 P55210 3/20 0.39
PKM P14618 1/20 0.39
CCR4 P51679 4/20 0.39
ECE1 P42892 3/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL7844033 1.00 MMP9 (0.50) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL7846611 0.87 MMP9 (0.52) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL6946762 0.87 MMP9 (0.52) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL5414263 0.85 MMP9 (0.41) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL5414258 0.85 MMP9 (0.41) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL6951034 0.85 MMP9 (0.53) MMP9BDKRB2ALDH1A1CCR4ECE1
SCHEMBL6945270 0.85 MMP9 (0.53) MMP9BDKRB2ALDH1A1CCR4ECE1
SCHEMBL5415738 0.80 MMP9 (0.41) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL5401022 0.80 MMP9 (0.44) MMP9BDKRB2LMNAALDH1A1SMN1; SMN2
SCHEMBL5405167 0.80 CASP3 (0.45) LMNAALDH1A1SMN1; SMN2CASP3CASP7

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
US-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 US disclosed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US disclosed
US-6433185-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed
US-6015812-A N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity SANOFI-SYNTHELABO (FR) 2000-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D MMP9 3790/4885BDKRB2 1658/4885LMNA 3733/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D MMP9 3790/4885BDKRB2 1658/4885LMNA 3733/4885

“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.