SCHEMBL2828648

SCHEMBL2828648

COC(=O)c1cc(S(C)(=O)=O)ccc1OCC1CCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.53
KCNH2 Q12809 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 9/20 0.46
SCN9A Q15858 3/20 0.43
YAP1 P46937 1/20 0.42

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
SCHEMBL1813202 0.88 SLC6A9 (0.54) SLC6A9KCNH2MEN1KMT2ABRD4
SCHEMBL2824930 0.82 SLC6A9 (0.59) SLC6A9KCNH2BRD4
SCHEMBL6628635 0.80 HTT (0.52) SLC6A9KCNH2KMT2A
SCHEMBL22297948 0.80 RORC (0.47) SLC6A9BRD4SCN9A
SCHEMBL20529251 0.79 RORC (0.51) SLC6A9SCN9A
SCHEMBL20870210 0.79 RORC (0.51) SCN9AYAP1
SCHEMBL22297960 0.78 RORC (0.50) SLC6A9BRD4SCN9A
SCHEMBL6628554 0.78 S1PR3 (0.49) SLC6A9KCNH2
SCHEMBL6629256 0.78 LMNA (0.47) KCNH2MEN1KMT2A
SCHEMBL20870766 0.78 BRD4 (0.42) SLC6A9KCNH2BRD4YAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1838308-A1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-10-03 EP disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 US disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 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-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 SLC6A9 23/4885KCNH2 1808/4885MEN1 1154/4885

“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.