SCHEMBL702140

SCHEMBL702140

O=C(COCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC(CCCN2CCCC2)(c2ccncc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
TACR1 P25103 2/20 0.35
KCNQ1 P51787 1/20 0.35
HCRTR1 O43613 1/20 0.35
HTR7 P34969 3/20 0.34
CCR5 P51681 2/20 0.34
CCR1 P32246 1/20 0.34
TIPARP Q7Z3E1 1/20 0.33
CASP1 P29466 2/20 0.33
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.32
WNT3 P56703 1/20 0.32
SFRP1 Q8N474 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 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
SCHEMBL703365 0.93 TACR1 (0.36) KMT2ATACR1KCNQ1HCRTR1HTR7
SCHEMBL701483 0.89 HTR7 (0.40) KMT2ATACR1KCNQ1HCRTR1HTR7
SCHEMBL700983 0.85 LMNA (0.34) KMT2ATACR1CCR5CCR1POLB
SCHEMBL3441795 0.82 KCNQ1 (0.34) KMT2ATACR1KCNQ1HCRTR1TIPARP
SCHEMBL3441798 0.82 KCNQ1 (0.34) KMT2ATACR1KCNQ1HCRTR1TIPARP
SCHEMBL701104 0.81 HTR7 (0.39) TACR1HCRTR1HTR7HTR1A
SCHEMBL704619 0.81 BDKRB1 (0.40) CASP1POLB
SCHEMBL3823420 0.81 HCRTR1 (0.40) KMT2AKCNQ1HCRTR1CCR1CASP1
SCHEMBL5129990 0.81 MEN1 (0.45) KMT2ATACR1KCNQ1HCRTR1TIPARP
SCHEMBL701062 0.79 TACR1 (0.34) KMT2ATACR1CCR5CCR1TIPARP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP claimed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO claimed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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 (1 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 KMT2A 3631/4885TACR1 18/4885KCNQ1 708/4885

“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.