SCHEMBL2569900

SCHEMBL2569900

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SIGMAR1 Q99720 1/20 0.40
CCR4 P51679 3/20 0.40
CNR1 P21554 1/20 0.40
CCR2 P41597 1/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM3 P20309 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 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
SCHEMBL2564005 0.93 CCR4 (0.43) GRM5MEN1KMT2ASIGMAR1CCR4
SCHEMBL2567635 0.91 CHRM3 (0.42) GRM5MEN1KMT2ASIGMAR1CCR4
SCHEMBL2566223 0.85 CNR1 (0.41) MEN1KMT2ACNR1MAPK1ALDH1A1
SCHEMBL2564866 0.85 MAPT (0.42) GRM5MEN1KMT2ACNR1USP2
SCHEMBL3777024 0.84 BDKRB1 (0.46) MEN1KMT2ASIGMAR1CHRM3
SCHEMBL2564852 0.83 CYP3A4 (0.38) CNR1
SCHEMBL2564519 0.82 ALDH1A1 (0.50) GRM5MEN1KMT2AUSP2ALDH1A1
SCHEMBL2565946 0.82 CNR1 (0.42) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL2567510 0.82 BDKRB1 (0.46) SIGMAR1CHRM3
SCHEMBL2564992 0.82 HTR7 (0.38) CNR1ALDH1A1SMN1; SMN2TSHR

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-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
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 GRM5 1968/4885MEN1 4354/4885KMT2A 1686/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 GRM5 1968/4885MEN1 4354/4885KMT2A 1686/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 GRM5 1968/4885MEN1 4354/4885KMT2A 1686/4885

“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.