SCHEMBL2570937

SCHEMBL2570937

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
PHGDH O43175 1/20 0.42
CYP3A4 P08684 1/20 0.41
CHRM4 P08173 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL2569525 0.98 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2564158 0.88 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2568794 0.87 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2564642 0.85 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2570687 0.83 TSHR (0.55) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL2560583 0.81 BDKRB1 (0.45)
SCHEMBL2570637 0.81 GRIN1 (0.46) SMN1; SMN2ALDH1A1MAPTNPSR1HTT
SCHEMBL2563956 0.81 BDKRB1 (0.52) KMT2AALDH1A1
SCHEMBL2563986 0.80 TSHR (0.56) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL2569113 0.80 ALDH1A1 (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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 12 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
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO 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 KMT2A 1686/4885MEN1 4354/4885SMN1; SMN2 45/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KMT2A 1686/4885MEN1 4354/4885SMN1; SMN2 45/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KMT2A 1686/4885MEN1 4354/4885SMN1; SMN2 45/4885

“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.