SCHEMBL5585174

SCHEMBL5585174

CCCS(=O)(=O)N1CCC(c2ccccc2)([C@H](C)NC(=O)c2ccccc2CNCC(F)(F)F)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.62
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
USP2 O75604 1/20 0.38

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
SCHEMBL5584865 0.85 SLC6A9 (0.60) SLC6A9
SCHEMBL5590807 0.83 SLC6A9 (0.65) SLC6A9
SCHEMBL5584496 0.82 SLC6A9 (0.78) SLC6A9
SCHEMBL14538122 0.82 SLC6A9 (0.78) SLC6A9
SCHEMBL4282569 0.81 SLC6A9 (0.71) SLC6A9USP2
SCHEMBL5584840 0.81 SLC6A9 (0.68) SLC6A9KDM4EUSP2
SCHEMBL5585099 0.80 SLC6A9 (0.71) SLC6A9
SCHEMBL5585003 0.79 SLC6A9 (0.66) SLC6A9USP2
SCHEMBL5584555 0.79 SLC6A9 (0.66) SLC6A9USP2
SCHEMBL5584923 0.79 SLC6A9 (0.66) SLC6A9KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors MERCK SHARP & DOHME CORP. 2007-05-10 US disclosed
US-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors MERCK SHARP & DOHME CORP. 2007-05-10 US disclosed
US-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors MERCK SHARP & DOHME CORP. 2007-05-10 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-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors SLC1A2, SLC1A1, SLC1A3 SLC6A9 10/4885KDM4E 3080/4885ALDH1A1 1913/4885

“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.