SCHEMBL5454076

SCHEMBL5454076

C=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCS(=O)(=O)N1CN(c2ccccc2)N=N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.41
STS P08842 1/20 0.39
USP30 Q70CQ3 5/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
THRB P10828 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
HPGDS O60760 1/20 0.35
TGFBR1 P36897 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3249302 0.79 GPR119 (0.41) GPR119STSUSP30JAK2JAK1
SCHEMBL3252131 0.73 ALDH1A1 (0.44) GPR119THRBLMNAGAASMN1; SMN2
SCHEMBL5186931 0.73 MEN1 (0.39) GPR119USP30JAK2JAK1KDM4E
SCHEMBL6977617 0.73 MEN1 (0.39) GPR119USP30JAK2JAK1KDM4E
SCHEMBL3246480 0.72 NR1H2 (0.41) GPR119JAK2JAK1SMN1; SMN2
SCHEMBL3244534 0.72 NR1H2 (0.41) GPR119JAK2JAK1SMN1; SMN2
SCHEMBL426434 0.71 NR1H2 (0.39) GPR119JAK2JAK1SMN1; SMN2
SCHEMBL6217654 0.70 HPGD (0.40) GPR119USP30JAK2JAK1KDM4E
SCHEMBL6976635 0.70 HPGD (0.42) GPR119JAK2JAK1SMN1; SMN2
SCHEMBL427722 0.69 EPHX1 (0.38) JAK2JAK1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 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-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 GPR119 3743/4885STS 1932/4885USP30 1840/4885

“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.