SCHEMBL4119477

SCHEMBL4119477

COc1ccc(S(=O)(=O)N2CCc3ccccc3C2CC(=O)NC2CCC(CCc3ccccc3)(N(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.47
MMP1 P03956 4/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 2/20 0.46
MMP7 P09237 2/20 0.46
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
MMP15 P51511 1/20 0.46
MMP16 P51512 1/20 0.46
MMP26 Q9NRE1 1/20 0.46
THRB P10828 1/20 0.44
TAS2R14 Q9NYV8 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP3 P08254 2/20 0.41
MMP13 P45452 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4125392 0.88 BDKRB1 (0.61) BDKRB1THRBSMN1; SMN2
SCHEMBL644670 0.81 BDKRB1 (0.47) BDKRB1MMP1MMP2MMP9MMP7
SCHEMBL3408435 0.78 RAB9A (0.47) BDKRB1MMP1MMP2MMP9MMP7
SCHEMBL2493345 0.77 TAS2R14 (0.55) MMP1MMP2MMP9MMP7MMP12
SCHEMBL642875 0.77 THRB (0.50) BDKRB1MMP1MMP2MMP9MMP7
SCHEMBL643096 0.76 ALDH1A1 (0.46) BDKRB1MMP1MMP2MMP9MMP7
SCHEMBL644906 0.76 THRB (0.58) BDKRB1MMP1MMP2MMP9MMP7
SCHEMBL644132 0.76 BDKRB1 (0.46) BDKRB1MMP1MMP2MMP9MMP7
SCHEMBL643263 0.75 SMN1; SMN2 (0.46) BDKRB1MMP1MMP2MMP9MMP7
SCHEMBL3413328 0.74 BDKRB1 (0.58) BDKRB1THRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US claimed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 3589/4885MMP1 4574/4885MMP2 4427/4885

“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.