SCHEMBL2568690

SCHEMBL2568690

Cc1cc(C)c(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)NCC2CCCN(Cc3ccccc3)C2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.43
BCHE P06276 7/20 0.43
FAAH O00519 6/20 0.43
EPHX2 P34913 1/20 0.40
ACKR3 P25106 1/20 0.40
CCR1 P32246 1/20 0.40
CCR3 P51677 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 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
SCHEMBL2567681 0.88 BCHE (0.45) ACHEBCHEFAAHEPHX2ACKR3
SCHEMBL2567533 0.87 EPHX2 (0.42) ACHEBCHEFAAHEPHX2CYP3A4
SCHEMBL2565134 0.83 FAAH (0.49) ACHEBCHEFAAHL3MBTL1DRD2
SCHEMBL2566377 0.82 FAAH (0.47) ACHEBCHEFAAHL3MBTL1DRD2
SCHEMBL2564439 0.81 LMNA (0.41) CYP3A4CYP2D6
SCHEMBL2567454 0.79 FAAH (0.51) ACHEBCHEFAAHL3MBTL1DRD2
SCHEMBL2565972 0.78 BCHE (0.47) ACHEBCHEFAAHACKR3CCR1
SCHEMBL2563847 0.78 ACKR3 (0.47) ACHEBCHEFAAHACKR3CCR1
SCHEMBL5127128 0.78 EPHX2 (0.43) EPHX2L3MBTL1
SCHEMBL2566667 0.77 EPHX2 (0.40) EPHX2

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 ACHE 1236/4885BCHE 4061/4885FAAH 122/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ACHE 1236/4885BCHE 4061/4885FAAH 122/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ACHE 1236/4885BCHE 4061/4885FAAH 122/4885

“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.