SCHEMBL5433728

SCHEMBL5433728

CC(C)(C)OC(=O)NCCCc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CC2.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
P2RY14 Q15391 1/20 0.36
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ADRA2B P18089 1/20 0.34
MAPK1 P28482 1/20 0.34
DRD2 P14416 2/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL5435573 0.99 SIGMAR1 (0.40) SIGMAR1KDM4ESMN1; SMN2CYP1A2P2RY14
SCHEMBL5433734 0.98 SIGMAR1 (0.40) SIGMAR1KDM4ESMN1; SMN2CYP1A2P2RY14
SCHEMBL3975810 0.95 MTNR1A (0.41) SIGMAR1KDM4ESMN1; SMN2CYP1A2P2RY14
SCHEMBL4134781 0.92 DDB1 (0.40) SIGMAR1KDM4ESMN1; SMN2CYP1A2P2RY14
SCHEMBL5433730 0.90 SIGMAR1 (0.37) SIGMAR1SMN1; SMN2CYP1A2ALDH1A1MEN1
SCHEMBL4169255 0.88 SIGMAR1 (0.38) SIGMAR1P2RY14GSK3BALDH1A1DRD2
SCHEMBL4183931 0.86 SIGMAR1 (0.37) SIGMAR1KDM4EP2RY14GSK3BMEN1
SCHEMBL3975813 0.85 MTNR1A (0.40) SIGMAR1SMN1; SMN2CYP1A2ALDH1A1MEN1
SCHEMBL4183936 0.85 SIGMAR1 (0.37) SIGMAR1KDM4EP2RY14GSK3BMEN1
SCHEMBL4178090 0.83 SIGMAR1 (0.37) SIGMAR1SMN1; SMN2CYP1A2P2RY14GSK3B

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-20070293472-A1 Novel 14 and 15 Membered Ring Compounds GLAXO GROUP LIMITED (GB) 2007-12-20 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-20070293472-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 SIGMAR1 4347/4885KDM4E 3390/4885SMN1; SMN2 4245/4885

“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.