SCHEMBL644254

SCHEMBL644254

O=C(CC1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
RECQL P46063 1/20 0.38
BDKRB1 P46663 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL644965 0.98 KMT2A (0.42) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL642819 0.94 TSHR (0.41) KMT2AMEN1TSHRHTR7HTR1A
SCHEMBL643135 0.93 BDKRB1 (0.39) TSHRHTR7HTR1ADRD2HTR1D
SCHEMBL645050 0.90 KMT2A (0.46) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL643935 0.88 KMT2A (0.43) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL644025 0.87 KMT2A (0.47) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL645386 0.85 KMT2A (0.44) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL644112 0.83 TSHR (0.43) KMT2AMEN1TSHRSMN1; SMN2HTR7
SCHEMBL643618 0.83 BDKRB1 (0.55) ALDH1A1BDKRB1
SCHEMBL493411 0.82 FAAH (0.36) KMT2AALDH1A1SMN1; SMN2DRD2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A KMT2A 2577/4885MEN1 4243/4885TSHR 3623/4885

“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.