SCHEMBL2569409

SCHEMBL2569409

O=C(COC(C1Cc2ccccc2N1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC1CCCN(Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.42
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
CCR3 P51677 5/20 0.39
CCR1 P32246 1/20 0.39
ACKR3 P25106 1/20 0.39
ACHE P22303 3/20 0.38
FAAH O00519 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
DRD2 P14416 4/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 4/20 0.37
MAOB P27338 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL3766501 0.87 BDKRB1 (0.40)
SCHEMBL2566479 0.75 BDKRB1 (0.44) BCHECCR2KCNH2CCR3CCR1
SCHEMBL2563957 0.72 BCHE (0.45) BCHECCR2KCNH2CCR3CCR1
SCHEMBL8178975 0.67 CCR3 (0.50) CCR2CCR3DRD2DRD4DRD3
SCHEMBL1543281 0.66 BCHE (0.68) BCHECCR3CCR1ACKR3ACHE
SCHEMBL2565972 0.65 BCHE (0.47) BCHECCR3CCR1ACKR3ACHE
SCHEMBL2563847 0.65 ACKR3 (0.47) BCHECCR3CCR1ACKR3ACHE
SCHEMBL2569152 0.65 FAAH (0.51) BCHEACHEFAAHNPC1POLB
SCHEMBL8177504 0.65 FAAH (0.66) BCHEKCNH2ACHEFAAH
SCHEMBL8185527 0.64 CCR3 (0.51) CCR2CCR3DRD2DRD4DRD3

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-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
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 BCHE 4061/4885CCR2 3429/4885KCNH2 790/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BCHE 4061/4885CCR2 3429/4885KCNH2 790/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BCHE 4061/4885CCR2 3429/4885KCNH2 790/4885

“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.