SCHEMBL2569443

SCHEMBL2569443

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(c2ccncc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.45
SPR P35270 1/20 0.41
HSD11B1 P28845 1/20 0.40
ATM Q13315 1/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2567500 0.93 SPR (0.48) GRM5SPRHSD11B1MAPTRAB9A
SCHEMBL2568723 0.86 GRM5 (0.46) GRM5ATMSMN1; SMN2ALDH1A1GAA
SCHEMBL2560431 0.85 SPR (0.51) GRM5SPRHSD11B1ALDH1A1CYP3A4
SCHEMBL2571181 0.85 BDKRB1 (0.42) GRM5MAPTRAB9ASMN1; SMN2TP53
SCHEMBL2560521 0.83 CYP2D6 (0.44) ATMCYP3A4CYP2D6CYP2C19
SCHEMBL2566140 0.82 BDKRB1 (0.43) GRM5MAPTRAB9ASMN1; SMN2TP53
SCHEMBL2568632 0.82 CYP2D6 (0.46) ATMCYP3A4CYP2D6CYP2C19
SCHEMBL2566344 0.82 PAX8 (0.41) GRM5ATMPAX8
SCHEMBL2568979 0.80 BDKRB1 (0.45) GRM5
SCHEMBL2569176 0.80 CYP2D6 (0.46) ATMCYP3A4CYP2D6CYP2C19

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 GRM5 1968/4885SPR 880/4885HSD11B1 2093/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 GRM5 1968/4885SPR 880/4885HSD11B1 2093/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 GRM5 1968/4885SPR 880/4885HSD11B1 2093/4885

“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.