SCHEMBL9915469

SCHEMBL9915469

CCCCOc1cnc(-c2cc(C(=O)OC)on2)cc1OCCCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALPL P05186 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SGPL1 O95470 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PLA2G2A P14555 1/20 0.35
NPC1 O15118 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 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
SCHEMBL9915507 0.88 GAA (0.46) SMPD1TP53TSHRSMN1; SMN2SGPL1
SCHEMBL14124863 0.81 LMNA (0.44) SMPD1MAPTSMN1; SMN2TDP1NPC1
SCHEMBL16748640 0.80 SMPD1 (0.38) SMPD1TP53TSHRMAPTSMN1; SMN2
SCHEMBL9915470 0.78 SMPD1 (0.37) SMPD1TP53TSHRMAPTSMN1; SMN2
SCHEMBL9915474 0.77 MAPT (0.41) SMPD1TP53TSHRMAPTSMN1; SMN2
SCHEMBL12334447 0.76 SMPD1 (0.64) SMPD1TP53TSHRSMN1; SMN2ALPL
SCHEMBL9915361 0.74 ALPL (0.37) SMPD1TP53TSHRMAPTSMN1; SMN2
SCHEMBL9915483 0.72 MAPT (0.47) SMPD1TP53TSHRMAPT
SCHEMBL16748641 0.69 GAA (0.43) SMPD1TP53TSHRSGPL1TDP1
SCHEMBL5283038 0.69 PPARA (0.46) SMPD1TP53MAPTSMN1; SMN2ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
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 (3 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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM SMPD1 2714/4885TP53 4737/4885TSHR 4478/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM SMPD1 2714/4885TP53 4737/4885TSHR 4478/4885
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.