SCHEMBL6945237

SCHEMBL6945237

O=C(O)CC(NS(=O)(=O)c1cccc2cccnc12)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.57
ALDH1A1 P00352 3/20 0.53
ATM Q13315 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 3/20 0.50
EEF2K O00418 3/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MMP2 P08253 1/20 0.48
PPARG P37231 1/20 0.48

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
SCHEMBL2202179 0.81 ATM (0.58) KCNA5ALDH1A1ATML3MBTL1TSHR
SCHEMBL5184517 0.81 TSHR (0.52) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL5622664 0.76 SMN1; SMN2 (0.64) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL7348972 0.75 GAA (0.49) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL8539708 0.75 GAA (0.52) ALDH1A1TSHRHTTSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL7657489 0.75 GAA (0.52) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL7348982 0.75 GAA (0.49) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL27995018 0.75 GAA (0.52) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL5098994 0.74 NTSR1 (0.58) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL5099014 0.74 NTSR1 (0.58) ALDH1A1TSHRHTTSMN1; SMN2GAA

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
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
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US 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 KCNA5 1373/4885ALDH1A1 503/4885ATM 4322/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D KCNA5 1373/4885ALDH1A1 503/4885ATM 4322/4885

“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.