SCHEMBL2826705

SCHEMBL2826705

CC(C)(C)OC(=O)N1CCN(c2nc(S(=O)(=O)c3ccccc3)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.52
CKS1B P61024 2/20 0.51
SKP1 P63208 2/20 0.51
SKP2 Q13309 2/20 0.51
GBA1 P04062 2/20 0.48
ACHE P22303 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN11 Q06124 1/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
ACKR3 P25106 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL25072511 0.82 STS (0.42) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL3765754 0.81 RAB9A (0.66) CKS1BSKP1SKP2NPC1RAB9A
SCHEMBL2826702 0.80 PIK3CA (0.55) PIK3CACKS1BSKP1SKP2GBA1
SCHEMBL8114293 0.79 LMNA (0.55) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL27575995 0.78 GBA1 (0.50) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL13129749 0.78 CKS1B (0.46) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL17541646 0.78 HRH3 (0.55) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL17541493 0.77 HRH3 (0.49) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL4573137 0.77 CTSB (0.46) CKS1BSKP1SKP2GBA1GPR119
SCHEMBL4584400 0.77 MAPT (0.56) GPR119NPC1RAB9ALMNAMAPK1

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
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
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

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.