SCHEMBL2569880

SCHEMBL2569880

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HTT P42858 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ENPP2 Q13822 4/20 0.41
SLC6A9 P48067 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
USP2 O75604 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
GRM5 P41594 1/20 0.39
RECQL P46063 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
SCHEMBL2570759 0.92 POLB (0.54) POLBHTTLMNAMAPTENPP2
SCHEMBL2569115 0.91 HTT (0.52) POLBHTTLMNAALDH1A1MAPT
SCHEMBL2568723 0.89 GRM5 (0.46) HTTLMNAALDH1A1GAAUSP2
SCHEMBL2564687 0.88 SMN1; SMN2 (0.48) POLBHTTLMNAALDH1A1MAPT
SCHEMBL2568276 0.87 MAPK1 (0.47) HTTLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2568747 0.87 GRIN1 (0.45) HTTLMNAALDH1A1MAPTGAA
SCHEMBL2564158 0.86 KMT2A (0.50) POLBHTTLMNAALDH1A1MAPT
SCHEMBL2569346 0.85 ALDH1A1 (0.44) HTTLMNAALDH1A1MAPTGAA
SCHEMBL2566145 0.85 MAPK1 (0.48) HTTLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2568593 0.84 GRIN1 (0.46) HTTLMNAALDH1A1MAPTGAA

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 POLB 2852/4885HTT 693/4885LMNA 2964/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 POLB 2852/4885HTT 693/4885LMNA 2964/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 POLB 2852/4885HTT 693/4885LMNA 2964/4885

“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.