SCHEMBL2568136

SCHEMBL2568136

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(CC2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
CNR1 P21554 2/20 0.40
BDKRB1 P46663 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 1/20 0.36
CASP3 P42574 1/20 0.35

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
SCHEMBL2568748 0.89 PSEN1 (0.43) ATMCNR1SMN1; SMN2USP2ALDH1A1
SCHEMBL15204116 0.88 BDKRB1 (0.47) ATMCNR1BDKRB1HRH3CACNA2D1
SCHEMBL15204115 0.88 BDKRB1 (0.47) ATMCNR1BDKRB1HRH3CACNA2D1
Hydrochloric Acid SCHEMBL3780399 0.87 BDKRB1 (0.46) ATMCNR1BDKRB1HRH3CACNA2D1
Hydrochloric Acid SCHEMBL2566439 0.87 BDKRB1 (0.46) ATMCNR1BDKRB1HRH3CACNA2D1
SCHEMBL2564519 0.87 ALDH1A1 (0.50) SMN1; SMN2USP2ALDH1A1LMNAPOLB
SCHEMBL2565189 0.86 LMNA (0.43) ATMCNR1SMN1; SMN2USP2ALDH1A1
SCHEMBL2569119 0.86 DRD2 (0.43) ATMCNR1POLBOPRK1
SCHEMBL2563882 0.86 TSHR (0.49) USP2ALDH1A1LMNAMEN1KMT2A
SCHEMBL2568632 0.85 CYP2D6 (0.46) ATM

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 ATM 3057/4885CNR1 81/4885BDKRB1 2368/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ATM 3057/4885CNR1 81/4885BDKRB1 2368/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ATM 3057/4885CNR1 81/4885BDKRB1 2368/4885

“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.