SCHEMBL2570824

SCHEMBL2570824

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC1c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
GPBAR1 Q8TDU6 6/20 0.44
USP2 O75604 1/20 0.44
ADRB2 P07550 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
F10 P00742 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 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
SCHEMBL2566990 0.83 OPRK1 (0.36) ALDH1A1
SCHEMBL2566344 0.83 PAX8 (0.41)
SCHEMBL2560431 0.81 SPR (0.51) POLBCYP3A4CYP2C19ALDH1A1ADRB2
SCHEMBL5121787 0.81 ALDH1A1 (0.47) POLBCYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL3825150 0.80 ALDH1A1 (0.47) POLBCYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL2566400 0.80 RAB9A (0.40) POLBALDH1A1LMNAHTT
SCHEMBL2572389 0.79 TACR1 (0.43)
SCHEMBL5132594 0.78 ATM (0.46)
SCHEMBL2564083 0.78 TP53 (0.35) ALDH1A1USP2LMNAHTT
SCHEMBL2569443 0.77 GRM5 (0.45) POLBCYP3A4CYP2C19ALDH1A1HTT

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 2852/4885CYP3A4 390/4885CYP2C19 283/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 POLB 2852/4885CYP3A4 390/4885CYP2C19 283/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 POLB 2852/4885CYP3A4 390/4885CYP2C19 283/4885

“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.