SCHEMBL9915495

SCHEMBL9915495

CCCCOc1cc(-c2cc(C(=O)O)no2)[n+]([O-])cc1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
CNR2 P34972 9/20 0.38
FAAH O00519 2/20 0.37
HTT P42858 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL9915490 0.88 MAPT (0.40) SMPD1ALDH1A1MAPTCNR2FAAH
SCHEMBL16748687 0.87 HPGD (0.43) SMPD1ALDH1A1MAPTHPGDRECQL
SCHEMBL14124870 0.81 SMPD1 (0.44) SMPD1ALDH1A1
SCHEMBL9915473 0.81 GAA (0.42) SMPD1S1PR3
SCHEMBL9915358 0.80 S1PR3 (0.37) ALDH1A1S1PR3
SCHEMBL9915362 0.77 XDH (0.41) ALDH1A1S1PR3
SCHEMBL16748690 0.75 MAPT (0.41) SMPD1ALDH1A1MAPTHPGDCNR2
SCHEMBL9915470 0.74 SMPD1 (0.37) SMPD1MAPTHTT
SCHEMBL92482 0.73 CNR2 (0.64) ALDH1A1HPGDCNR2FAAH
SCHEMBL12225702 0.71 CNR2 (0.43) SMPD1ALDH1A1MAPTHPGDRECQL

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 2714/4885ALDH1A1 1829/4885MAPT 3674/4885

“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.