SCHEMBL2568944

SCHEMBL2568944

COc1ccc(C2CCCCN2C(=O)COCC2CCCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 2/20 0.40
CPT1A P50416 2/20 0.40
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
KCNK3 O14649 1/20 0.35
PDE1C Q14123 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.33
PSMD14 O00487 1/20 0.33
PABPC1 P11940 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2567328 0.80 BDKRB1 (0.39) KMT2AMEN1
SCHEMBL2568727 0.80 BDKRB1 (0.39) KMT2AMEN1
SCHEMBL2566691 0.79 BDKRB1 (0.39) KMT2AMEN1
SCHEMBL2563626 0.78 RAB9A (0.45) CPT2CPT1AMAPT
SCHEMBL2568545 0.78 ALDH1A1 (0.40) CPT2CPT1AKMT2AMEN1PKM
SCHEMBL2568613 0.77 MAPT (0.35) KMT2AMEN1PKMMAPT
SCHEMBL2570165 0.77 OPRK1 (0.41)
SCHEMBL2569764 0.76 KMT2A (0.44) CPT2CPT1AKMT2AMEN1PKM
SCHEMBL2566100 0.76 RAB9A (0.46) CPT2CPT1A
SCHEMBL2753009 0.75 EPHX2 (0.42) KMT2AMEN1

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 CPT2 3574/4885CPT1A 2348/4885SCD 342/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CPT2 3574/4885CPT1A 2348/4885SCD 342/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CPT2 3574/4885CPT1A 2348/4885SCD 342/4885

“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.