SCHEMBL6104086

SCHEMBL6104086

CC(C)CC(CS(=O)(=O)N1CCC(Oc2ccc(F)cc2Br)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.45
IKBKB O14920 1/20 0.42
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
RORC P51449 2/20 0.37
PKM P14618 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
SCD O00767 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR6 P46095 3/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6218839 0.91 PTGDR (0.42) PTGDRIKBKBRORCUTS2RALDH1A1
SCHEMBL6218902 0.91 PTGDR (0.42) PTGDRIKBKBRORCUTS2RALDH1A1
SCHEMBL6104724 0.83 PTGDR (0.44) PTGDRIKBKBHRH1CCR3PKM
SCHEMBL6245802 0.83 PTGDR (0.44) PTGDRIKBKBHRH1CCR3PKM
SCHEMBL6245804 0.83 PTGDR (0.44) PTGDRIKBKBHRH1CCR3PKM
SCHEMBL6103410 0.83 PTGDR (0.41) PTGDRIKBKBHRH1CCR3RORC
SCHEMBL6248851 0.82 IKBKB (0.48) PTGDRIKBKBHRH1CCR3RORC
SCHEMBL6248847 0.82 IKBKB (0.48) PTGDRIKBKBHRH1CCR3RORC
SCHEMBL6248849 0.82 IKBKB (0.48) PTGDRIKBKBHRH1CCR3RORC
SCHEMBL6362089 0.80 PTGDR (0.41) PTGDRIKBKBUTS2RALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-08-03 US disclosed
CN-1681503-A Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO 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-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors MMP9, MMP2, MMP25 PTGDR 1995/4885IKBKB 1562/4885HRH1 2760/4885

“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.