SCHEMBL2568593

SCHEMBL2568593

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 4/20 0.45
GRM5 P41594 2/20 0.43
HTT P42858 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
RORC P51449 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 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
SCHEMBL2568747 0.97 GRIN1 (0.45) GRIN1GRIN2BRAB9AALDH1A1GRM5
SCHEMBL2568731 0.92 ALDH1A1 (0.55) RAB9AALDH1A1GRM5HTTMAPT
SCHEMBL2568343 0.91 ALDH1A1 (0.45) GRIN1GRIN2BRAB9AALDH1A1GRM5
SCHEMBL2567394 0.89 MAPT (0.48) RAB9AALDH1A1GRM5HTTMAPT
SCHEMBL2569346 0.88 ALDH1A1 (0.44) GRIN1GRIN2BRAB9AALDH1A1GRM5
SCHEMBL2566145 0.88 MAPK1 (0.48) ALDH1A1HTTMAPTMAPK1SMN1; SMN2
SCHEMBL2569115 0.87 HTT (0.52) ALDH1A1GRM5HTTMAPTSMN1; SMN2
SCHEMBL2566525 0.87 GRIN1 (0.46) GRIN1GRIN2BRAB9AALDH1A1HTT
SCHEMBL2563952 0.86 TDP1 (0.48) RAB9AALDH1A1GRM5HTTMAPT
SCHEMBL2567631 0.86 SMN1; SMN2 (0.42) ALDH1A1HTTSMN1; SMN2LMNAUSP2

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 GRIN1 2239/4885GRIN2B 1084/4885RAB9A 2794/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 GRIN1 2239/4885GRIN2B 1084/4885RAB9A 2794/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 GRIN1 2239/4885GRIN2B 1084/4885RAB9A 2794/4885

“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.