SCHEMBL2826702

SCHEMBL2826702

CC(C)(C)OC(=O)N1CCN(c2ncc(S(=O)(=O)c3ccccc3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.55
CKS1B P61024 2/20 0.50
SKP1 P63208 2/20 0.50
SKP2 Q13309 2/20 0.50
GPR119 Q8TDV5 9/20 0.46
PTPN11 Q06124 1/20 0.45
ACHE P22303 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KIT P10721 1/20 0.43
GBA1 P04062 2/20 0.43

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
SCHEMBL2823262 0.91 GPR119 (0.53) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL2825151 0.90 GPR119 (0.48) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL2831907 0.87 GPR119 (0.47) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL2825192 0.84 GPR119 (0.50) CKS1BSKP1SKP2GPR119
SCHEMBL27698724 0.83 HDAC3 (0.43) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL2828776 0.82 GPR119 (0.46) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL2827274 0.81 GPR119 (0.46) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL10219247 0.80 USP30 (0.61) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL2827276 0.80 GPR119 (0.44) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL2826705 0.80 PIK3CA (0.52) PIK3CACKS1BSKP1SKP2GPR119

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
CN-105712952-B 2-substituted oxy-5-methylsulfonyl phenyl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-26 CN disclosed
CN-105712952-A 2-Substituted-phenyl-oxy-5-methylsulfonyl piperazine acidamide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2016-06-29 CN disclosed
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-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

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 PIK3CA 4545/4885CKS1B 3454/4885SKP1 1330/4885

“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.