SCHEMBL2566479

SCHEMBL2566479

O=C(COCC1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC1CCCN(Cc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.44
BCHE P06276 3/20 0.43
APP P05067 2/20 0.42
CCR2 P41597 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR6 P50406 1/20 0.41
ACHE P22303 2/20 0.40
FAAH O00519 1/20 0.40
CCR3 P51677 2/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
ACKR3 P25106 1/20 0.40
CCR1 P32246 1/20 0.40
CACNA1H O95180 1/20 0.40
MAOB P27338 1/20 0.40
DRD2 P14416 1/20 0.39

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
SCHEMBL2569152 0.89 FAAH (0.51) BCHEACHEFAAH
SCHEMBL2570720 0.87 BDKRB1 (0.46) BDKRB1APPPSEN1PSEN2APH1B
SCHEMBL2563957 0.85 BCHE (0.45) BCHECCR2KCNH2HTR6ACHE
SCHEMBL5128567 0.79 BDKRB1 (0.45) BDKRB1APPPSEN1PSEN2APH1B
SCHEMBL2565972 0.77 BCHE (0.47) BCHEACHEFAAHCCR3ACKR3
SCHEMBL2563847 0.77 ACKR3 (0.47) BCHEACHEFAAHCCR3ACKR3
SCHEMBL2568690 0.76 ACHE (0.43) BCHEACHEFAAHCCR3ACKR3
SCHEMBL2568813 0.75 ACKR3 (0.46) BCHEACHEFAAHCCR3ACKR3
SCHEMBL2569409 0.75 BCHE (0.42) BCHECCR2KCNH2HTR6ACHE
SCHEMBL3812455 0.73 BDKRB1 (0.40) BDKRB1APPPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885BCHE 4061/4885APP 2682/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885BCHE 4061/4885APP 2682/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885BCHE 4061/4885APP 2682/4885

“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.