SCHEMBL2562887

SCHEMBL2562887

COc1cc(C)c(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)N2CCC(N3CCN(C)CC3)CC2)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.48
ACHE P22303 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR6 P50406 1/20 0.40
AVPR1B P47901 4/20 0.39
AVPR1A P37288 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2569905 0.97 BDKRB1 (0.48) BDKRB1ACHEKDM4EPOLBTDP1
SCHEMBL2570013 0.89 BDKRB1 (0.48) BDKRB1ACHEKDM4EPOLBTDP1
SCHEMBL2565923 0.87 BDKRB1 (0.50) BDKRB1HTR6AVPR1BAVPR1A
SCHEMBL3769200 0.87 BDKRB1 (0.58) BDKRB1ACHEKDM4EPOLBTDP1
SCHEMBL2568634 0.87 BDKRB1 (0.58) BDKRB1ACHEKDM4EPOLBTDP1
SCHEMBL2567224 0.86 BDKRB1 (0.38) BDKRB1HTR6AVPR1BAVPR1A
SCHEMBL2564167 0.86 BDKRB1 (0.48) BDKRB1ACHEKDM4ETDP1ALDH1A1
SCHEMBL2566086 0.85 BMP1 (0.42) TDP1AVPR1BALDH1A1
SCHEMBL2567117 0.85 BDKRB1 (0.49) BDKRB1HTR6AVPR1BAVPR1A
SCHEMBL5128035 0.83 TP53 (0.41) POLBHTR6AVPR1BAVPR1AHTT

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 BDKRB1 2368/4885ACHE 1236/4885KDM4E 3171/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885ACHE 1236/4885KDM4E 3171/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885ACHE 1236/4885KDM4E 3171/4885

“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.