SCHEMBL2565893

SCHEMBL2565893

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)Nc2cccc(CN3CCCCC3)c2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2568597 0.98 ACKR3 (0.47) ACKR3HCRTR1HCRTR2RAB9AGAA
SCHEMBL2565933 0.91 KDM4E (0.44) ACKR3SMN1; SMN2
SCHEMBL2568171 0.90 GAA (0.51) RAB9AGAAKMT2ASMN1; SMN2LMNA
SCHEMBL2568309 0.86 MAPT (0.47) RAB9AKMT2AMEN1
SCHEMBL2568320 0.85 HRH3 (0.43) RAB9AGAAKMT2ALMNA
SCHEMBL2565835 0.85 GAA (0.46) RAB9AGAAKMT2ASMN1; SMN2LMNA
SCHEMBL2570288 0.84 HRH3 (0.44) RAB9AKMT2ALMNA
SCHEMBL27758876 0.84 ACKR3 (0.41) ACKR3SMN1; SMN2
SCHEMBL2563594 0.83 HRH3 (0.41) GAAKMT2ALMNA
SCHEMBL2569105 0.83 SIGMAR1 (0.56) KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
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 ACKR3 4315/4885HCRTR1 3833/4885HCRTR2 3276/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ACKR3 4315/4885HCRTR1 3833/4885HCRTR2 3276/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ACKR3 4315/4885HCRTR1 3833/4885HCRTR2 3276/4885

“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.