SCHEMBL6702006

SCHEMBL6702006

CCC#CCOc1ccc(S(=O)(=O)C2(C(=O)ON)CCN(Cc3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.81
MMP13 P45452 14/20 0.68
MMP1 P03956 13/20 0.68
MMP9 P14780 13/20 0.68
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL6262928 0.91 ADAM17 (0.81) ADAM17MMP13MMP1MMP9CYP1A2
SCHEMBL4026606 0.91 ADAM17 (0.82) ADAM17MMP13MMP1MMP9
Hydroxyamine SCHEMBL6702004 0.90 ADAM17 (0.82) ADAM17MMP13MMP1MMP9
SCHEMBL6275563 0.90 ADAM17 (0.85) ADAM17MMP13MMP1MMP9
SCHEMBL4027101 0.89 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6704851 0.88 ADAM17 (0.80) ADAM17MMP13MMP1MMP9CYP1A2
SCHEMBL4033569 0.88 ADAM17 (0.82) ADAM17MMP13MMP1MMP9
SCHEMBL4033702 0.85 ADAM17 (0.60) ADAM17MMP13MMP1MMP9
SCHEMBL6262677 0.84 ADAM17 (0.79) ADAM17MMP13MMP1MMP9CYP1A2
SCHEMBL6864846 0.84 ADAM17 (0.79) ADAM17MMP13MMP1MMP9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063672-A1 Method for the treatment of polycystic kidney disease WYETH HOLDINGS CORPORATION 2004-04-01 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-20040063672-A1 Method for the treatment of polycystic kidney disease PKD1, PKD2, PCSK6 ADAM17 9/4885MMP13 246/4885MMP1 215/4885

“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.