SCHEMBL2567970

SCHEMBL2567970

O=C(COCC1CCCCN1S(=O)(=O)c1cccc2ccccc12)NCC1CCCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.51
BCHE P06276 5/20 0.47
HTR7 P34969 5/20 0.46
HTR1D P28221 3/20 0.46
HTR2B P41595 3/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
ACKR3 P25106 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1B P35368 1/20 0.44
CCR1 P32246 1/20 0.44
CCR3 P51677 1/20 0.44
ACHE P22303 6/20 0.42
MAOB P27338 1/20 0.42
FAAH O00519 5/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL2568813 0.88 ACKR3 (0.46) BCHEDRD2DRD3ACKR3CCR1
SCHEMBL2563847 0.86 ACKR3 (0.47) BCHEDRD2DRD3ACKR3CCR1
SCHEMBL28779425 0.85 BCHE (0.43) CCR4BCHEACKR3CCR1CCR3
SCHEMBL2563957 0.84 BCHE (0.45) BCHEHTR7HTR1DHTR1ADRD2
SCHEMBL2567681 0.84 BCHE (0.45) BCHEACKR3CCR1CCR3ACHE
SCHEMBL2565972 0.83 BCHE (0.47) BCHEDRD2DRD3ACKR3CCR1
SCHEMBL2565009 0.82 HTR7 (0.46) CCR4HTR7HTR1DHTR2BHTR1A
SCHEMBL2566377 0.82 FAAH (0.47) BCHEDRD2DRD3ACHEFAAH
SCHEMBL27780231 0.82 DRD2 (0.44) BCHEDRD2DRD3ACKR3CCR1
SCHEMBL15204107 0.81 CCR4 (0.51) CCR4HTR7HTR1DHTR2BHTR1A

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-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 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 CCR4 3875/4885BCHE 4061/4885HTR7 1762/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CCR4 3875/4885BCHE 4061/4885HTR7 1762/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CCR4 3875/4885BCHE 4061/4885HTR7 1762/4885

“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.