SCHEMBL6400402

SCHEMBL6400402

CCN(CC)CC(O)CNS(=O)(=O)c1ccc(NOC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 2/20 0.40
GFER P55789 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL6396649 0.83 CA1 (0.51) ALDH1A1GAASIGMAR1CA12CA1
SCHEMBL6394884 0.74 SLC6A9 (0.53) ALDH1A1GAASIGMAR1KMT2APOLB
SCHEMBL12169291 0.67 GBA1 (0.61) ALDH1A1GAACA12CA1CA2
SCHEMBL13508608 0.65 CA1 (0.50) ALDH1A1GAASMN1; SMN2CA12CA1
SCHEMBL14132620 0.65 CA1 (0.53) ALDH1A1GAASMN1; SMN2CA12CA1
SCHEMBL3690433 0.65 ALDH1A1 (0.55) ALDH1A1GAACA1CA2
SCHEMBL9582680 0.65 CNR2 (0.50) ALDH1A1GAASMN1; SMN2CA12CA1
SCHEMBL13840405 0.64 GBA1 (0.61) ALDH1A1GAASMN1; SMN2CA12CA1
SCHEMBL19011400 0.64 GBA1 (0.61) ALDH1A1GAASMN1; SMN2CA12CA1
SCHEMBL14336142 0.64 CYP2C9 (0.46) ALDH1A1GAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US claimed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP claimed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO claimed
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US disclosed
US-6891006-B2 Yttrium-based ethylene polymerization catalysts with bulky amidinate ancillary ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-05-10 US disclosed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 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-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders SLC1A2, SLC1A1, SLC18A2 ALDH1A1 928/4885GAA 304/4885USP2 3894/4885

“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.