SCHEMBL2570428

SCHEMBL2570428

Cc1cccc(Cl)c1S(=O)(=O)N1CCCCC1COCC(=O)N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.44
CCR1 P32246 3/20 0.42
CCR3 P51677 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.37
AKR1C3 P42330 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL15203959 0.97 BDKRB1 (0.45) BDKRB1CCR1CCR3CYP2D6CYP2C19
SCHEMBL15204130 0.97 BDKRB1 (0.45) BDKRB1CCR1CCR3CYP2D6CYP2C19
SCHEMBL15203960 0.97 BDKRB1 (0.45) BDKRB1CCR1CCR3CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL2567697 0.97 BDKRB1 (0.44) BDKRB1CCR1CCR3CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL3769792 0.97 BDKRB1 (0.44) BDKRB1CCR1CCR3CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL2570387 0.97 BDKRB1 (0.44) BDKRB1CCR1CCR3CYP2D6CYP2C19
SCHEMBL2568024 0.96 BDKRB1 (0.44) BDKRB1CYP2D6CYP2C19NPSR1ACHE
Hydrochloric Acid SCHEMBL2565202 0.95 BDKRB1 (0.43) BDKRB1CYP2D6CYP2C19NPSR1ACHE
SCHEMBL2570193 0.93 ACHE (0.45) BDKRB1CCR3CYP2D6CYP2C19NPSR1
SCHEMBL2567193 0.93 BDKRB1 (0.44) BDKRB1CCR1CYP2D6CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP claimed
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
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
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 2368/4885CCR1 3832/4885CCR3 3858/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CCR1 3832/4885CCR3 3858/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CCR1 3832/4885CCR3 3858/4885

“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.