SCHEMBL2569446

SCHEMBL2569446

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NCc2cccc(N3CCN(C)CC3)c2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HTR1A P08908 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NOS2 P35228 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
BDKRB1 P46663 1/20 0.38
TRPA1 O75762 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
SCHEMBL2564561 0.95 MEN1 (0.45) GFERKMT2AMEN1GAAALDH1A1
SCHEMBL2564993 0.92 MEN1 (0.41) GFERKMT2AMEN1GAAALDH1A1
SCHEMBL2568277 0.92 CA1 (0.42) KMT2AALDH1A1
SCHEMBL2565832 0.89 CA1 (0.42) KMT2ANPC1
SCHEMBL2563906 0.86 CA1 (0.41) KMT2AALDH1A1
SCHEMBL2570358 0.86 NCOA1 (0.41) KMT2AMEN1GAANPC1
SCHEMBL2568325 0.86 BDKRB1 (0.40) KMT2AALDH1A1HRH3BDKRB1
SCHEMBL2565776 0.85 CA1 (0.41) NPC1HRH3
SCHEMBL2565831 0.84 POLB (0.46) GAAALDH1A1
SCHEMBL2566109 0.84 RAB9A (0.39) KMT2AMEN1GAANPC1HTR1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 GFER 547/4885KMT2A 1686/4885MEN1 4354/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 GFER 547/4885KMT2A 1686/4885MEN1 4354/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 GFER 547/4885KMT2A 1686/4885MEN1 4354/4885

“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.