SCHEMBL3769638

SCHEMBL3769638

O=C(COC(C1CCCCN1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MCHR1 Q99705 1/20 0.37
BDKRB1 P46663 3/20 0.37
BDKRB2 P30411 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A3 Q01959 2/20 0.35
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL3764001 0.98 ACHE (0.40) ACHESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3771289 0.93 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL3767999 0.93 DDR1 (0.37) BDKRB1SLC6A3SLC6A2SLC6A4
SCHEMBL3763730 0.91 MEN1 (0.38) MEN1KMT2AALDH1A1TDP1NPC1
SCHEMBL3763851 0.91 ALDH1A1 (0.39) MEN1KMT2AALDH1A1POLB
SCHEMBL3761812 0.91 DDR1 (0.38) SMN1; SMN2MEN1KMT2ABDKRB1
SCHEMBL3763394 0.86 LSS (0.38) ALDH1A1SLC6A3POLBSLC6A2SLC6A4
SCHEMBL3763726 0.86 KMT2A (0.39) MEN1KMT2AALDH1A1MCHR1BDKRB1
SCHEMBL3781222 0.86 GAA (0.39) KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL3771275 0.84 LSS (0.38) MEN1KMT2AALDH1A1POLB

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-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
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US 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 ACHE 1236/4885SMN1; SMN2 45/4885MEN1 4354/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ACHE 1236/4885SMN1; SMN2 45/4885MEN1 4354/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ACHE 1236/4885SMN1; SMN2 45/4885MEN1 4354/4885

“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.