SCHEMBL2326178

SCHEMBL2326178

NS(=O)(=O)NCC(O)c1csc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.56
CA1 P00915 1/20 0.56
HTR1A P08908 4/20 0.43
ALOX5 P09917 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR7 P34969 2/20 0.38
CYP2A6 P11509 1/20 0.38
HTR1D P28221 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL9278464 0.83 CA2 (0.56) CA2CA1ALOX5CYP1A2CYP2D6
SCHEMBL2326181 0.81 ALOX5 (0.46) CA2CA1HTR1AALOX5CYP1A2
SCHEMBL6610537 0.78 MAPT (0.46) HTR1AALOX5HTR7CYP2A6HTR1D
SCHEMBL12437837 0.77 CYP2A6 (0.52) HTR1AALOX5HTR7CYP2A6HTR1D
Hydrochloric Acid SCHEMBL2321691 0.76 CYP2A6 (0.50) HTR1AALOX5HTR7CYP2A6HTR1D
SCHEMBL12438380 0.75 CA12 (0.50) CA2CA1HTR1AALOX5HTR1D
SCHEMBL4285747 0.72 CA2 (0.51) CA2CA1ALOX5CYP1A2CYP2D6
SCHEMBL2328723 0.72 ADRB1 (0.55) CA2CA1CYP1A2CYP2D6CYP2C9
SCHEMBL2319918 0.72 GBA1 (0.46) CA2CA1CYP2D6KCNH2SLC6A2
SCHEMBL2322513 0.72 GBA1 (0.46) CA2CA1CYP2D6KCNH2SLC6A2

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-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2012-11-29 US claimed
WO-2011097337-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF ADVANCED NEURAL DYNAMICS, INC. (US) 2011-08-11 WO claimed
US-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2012-11-29 US disclosed
US-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2012-11-29 US disclosed
US-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2012-11-29 US disclosed
WO-2011097337-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF ADVANCED NEURAL DYNAMICS, INC. (US) 2011-08-11 WO disclosed
WO-2011097337-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF ADVANCED NEURAL DYNAMICS, INC. (US) 2011-08-11 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 (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-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF GRIK2, GRIK5, GRIN2A CA2 681/4885CA1 116/4885HTR1A 1491/4885

“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.