SCHEMBL2564642

SCHEMBL2564642

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.48
IDE P14735 1/20 0.48
HPGD P15428 1/20 0.46
KDM4E B2RXH2 8/20 0.45
LMNA P02545 5/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TIPARP Q7Z3E1 4/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
BDKRB1 P46663 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL2568794 0.98 SMN1; SMN2 (0.48) SMN1; SMN2IDEHPGDKDM4ELMNA
SCHEMBL2569525 0.87 KMT2A (0.49) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL2564652 0.86 ALDH1A1 (0.50) SMN1; SMN2HPGDKDM4ELMNAMAPK1
SCHEMBL2563986 0.85 TSHR (0.56) SMN1; SMN2LMNAHTTHSD17B10POLB
SCHEMBL2570937 0.85 KMT2A (0.48) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL2566199 0.83 BDKRB1 (0.46) LMNAALDH1A1BDKRB1
SCHEMBL2569113 0.83 ALDH1A1 (0.53) SMN1; SMN2HPGDKDM4ELMNAMAPK1
SCHEMBL2570687 0.83 TSHR (0.55) SMN1; SMN2LMNAHTTHSD17B10POLB
SCHEMBL2564687 0.83 SMN1; SMN2 (0.48) SMN1; SMN2IDEHPGDKDM4ELMNA
SCHEMBL2563967 0.82 KDM4E (0.44) HPGDKDM4ELMNAPOLBBDKRB1

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 SMN1; SMN2 45/4885IDE 3298/4885HPGD 1360/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SMN1; SMN2 45/4885IDE 3298/4885HPGD 1360/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 SMN1; SMN2 45/4885IDE 3298/4885HPGD 1360/4885

“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.