SCHEMBL5585246

SCHEMBL5585246

CCCS(=O)(=O)N1CCC(c2ccccc2)([C@H](C)N)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.57
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 3/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NOS2 P35228 1/20 0.41

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
SCHEMBL14538120 1.00 SLC6A9 (0.57) SLC6A9GAAPKMPOLBMAPT
SCHEMBL760544 0.82 SLC6A9 (0.58) SLC6A9KDM4EHSD17B10
SCHEMBL761055 0.82 SLC6A9 (0.58) SLC6A9KDM4EHSD17B10
SCHEMBL5585099 0.79 SLC6A9 (0.71) SLC6A9GAAPKMPOLB
SCHEMBL4003496 0.78 SLC6A9 (0.55) SLC6A9GAAPKMPOLBMAPT
SCHEMBL2701656 0.76 GAA (0.53) SLC6A9GAAPKMPOLBMAPT
SCHEMBL5584824 0.75 SLC6A9 (0.63) SLC6A9GAAALDH1A1LMNASMN1; SMN2
SCHEMBL4282569 0.75 SLC6A9 (0.71) SLC6A9GAAPKMPOLB
SCHEMBL3998555 0.75 POLB (0.55) SLC6A9GAAPKMPOLBMAPT
SCHEMBL3997790 0.75 OPRM1 (0.51) SLC6A9GAAPKMPOLBMAPT

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-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 10/4885GAA 570/4885PKM 1535/4885

“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.