SCHEMBL9915470

SCHEMBL9915470

CCCCOc1cc(-c2cc(C(=O)OC)on2)[n+]([O-])cc1OCCCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.37
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
ALPL P05186 1/20 0.35
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
SGPL1 O95470 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLA2G2A P14555 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL16748640 0.89 SMPD1 (0.38) SMPD1TP53TSHRALPLGAA
SCHEMBL9915473 0.89 GAA (0.42) SMPD1TP53TSHRGAASGPL1
SCHEMBL14124901 0.83 LMNA (0.40) SMPD1TDP1MAPT
SCHEMBL16748641 0.79 GAA (0.43) SMPD1TP53TSHRGAASGPL1
SCHEMBL9915469 0.78 SMPD1 (0.40) SMPD1TP53TSHRALPLGAA
SCHEMBL9915431 0.77 NOTUM (0.36)
SCHEMBL9915354 0.75 TP53 (0.33) SMPD1TP53TSHRALPLGAA
SCHEMBL9915495 0.74 SMPD1 (0.41) SMPD1HTTMAPT
SCHEMBL9915490 0.74 MAPT (0.40) SMPD1TP53TSHRMAPT
SCHEMBL12334447 0.72 SMPD1 (0.64) SMPD1TP53TSHRALPLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 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-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM SMPD1 2714/4885TP53 4737/4885TSHR 4478/4885

“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.