SCHEMBL3945648

SCHEMBL3945648

COc1ccc(CC(C)=NO)cc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
GAA P10253 2/20 0.42
ADRA1D P25100 6/20 0.42
ADRA1A P35348 6/20 0.42
ADRA1B P35368 6/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTT P42858 1/20 0.41
CA5A P35218 2/20 0.41

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
SCHEMBL3951669 1.00 PKM (0.50) PKMGAAADRA1DADRA1AADRA1B
SCHEMBL30610782 0.84 PKM (0.57) PKMGAAADRA1DADRA1AADRA1B
SCHEMBL48765 0.84 PKM (0.57) PKMGAAADRA1DADRA1AADRA1B
SCHEMBL8095827 0.81 GAA (0.65) PKMGAAADRA1DADRA1AADRA1B
SCHEMBL12324377 0.80 ADRA1D (0.46) PKMGAAADRA1DADRA1AADRA1B
SCHEMBL1807384 0.79 PKM (0.58) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL14818856 0.78 ADRA1D (0.44) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL6550393 0.78 PKM (0.54) PKMGAAADRA1DADRA1AADRA1B
SCHEMBL10640275 0.77 PKM (0.55) PKMADRA1DADRA1AADRA1BADRB2
SCHEMBL28732677 0.77 PKM (0.55) PKMADRA1DADRA1AADRA1BADRB2

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
EP-1603866-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD (IN) 2009-04-29 EP disclosed
US-20080033208-A1 Process for Manufacturing Optically Pure (R) or (S)-5-(2-Aminopropyl)-2-Methoxybenzene Sulfonamide CADILA HEALTHCARE LIMITED (IN) 2008-02-07 US disclosed
EP-1720830-A1 PROCESS FOR MANUFACTURING OPTICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE CADILA HEALTHCARE LTD. (IN) 2006-11-15 EP disclosed
US-20060173214-A1 Process for the preparation of enantiomerically pure (r) or (s)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide CADILA HEALTHCARE LIMITED (IN) 2006-08-03 US disclosed
EP-1603866-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD. (IN) 2005-12-14 EP disclosed
WO-2005080323-A1 PROCESS FOR MANUFACTURING OPTICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE CADILA HEALTHCARE LIMITED (IN) 2005-09-01 WO disclosed
WO-2004058694-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LIMITED (IN) 2004-07-15 WO 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-20080033208-A1 Process for Manufacturing Optically Pure (R) or (S)-5-(2-Aminopropyl)-2-Methoxybenzene Sulfonamide SRR, SRMS, AASDHPPT PKM 2790/4885GAA 1436/4885ADRA1D 1822/4885
US-20060173214-A1 Process for the preparation of enantiomerically pure (r) or (s)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide SRMS, SPR, SRR PKM 3229/4885GAA 2504/4885ADRA1D 1701/4885

“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.