SCHEMBL2569697

SCHEMBL2569697

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
GRM5 P41594 1/20 0.43
BDKRB1 P46663 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2567707 0.97 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL2565964 0.94 MAPK1 (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2560583 0.92 BDKRB1 (0.45) BDKRB1
SCHEMBL2563806 0.92 MAPK1 (0.46) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL2563572 0.91 ALDH1A1 (0.44) ALDH1A1BDKRB1
SCHEMBL2568340 0.90 CYP2D6 (0.43) GRM5BDKRB1CYP3A4CYP2C9
SCHEMBL2566199 0.90 BDKRB1 (0.46) ALDH1A1BDKRB1
SCHEMBL2570091 0.89 TDP1 (0.48) ALDH1A1MAPTL3MBTL1SMN1; SMN2BDKRB1
SCHEMBL2566583 0.89 MAPK1 (0.46) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2570637 0.89 GRIN1 (0.46) ALDH1A1MAPTL3MBTL1SMN1; SMN2BDKRB1

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 ALDH1A1 1535/4885MEN1 4354/4885KMT2A 1686/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885MEN1 4354/4885KMT2A 1686/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885MEN1 4354/4885KMT2A 1686/4885

“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.