SCHEMBL9915311

SCHEMBL9915311

CCCCOc1cnc(CO)cc1OCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TLR8 Q9NR97 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
S1PR1 P21453 1/20 0.35
ESR1 P03372 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTA4H P09960 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL6608422 0.93 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL9915401 0.82 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19TLR8PDE4A
SCHEMBL9915402 0.82 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19TLR8NPC1
SCHEMBL6609628 0.78 PDE4B (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL16748702 0.78 ALDH1A1 (0.44) CYP1A2CYP2C19PDE4APDE4BPDE4C
SCHEMBL3562705 0.77 MAPT (0.34) TLR8S1PR1KMT2AMEN1ALDH1A1
SCHEMBL21749946 0.76 S1PR1 (0.44) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL30918494 0.75 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL3930071 0.75 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL9915365 0.75 MAPT (0.44) CYP1A2CYP2C9CYP2C19PDE4APDE4B

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 CYP1A2 957/4885CYP2C9 975/4885CYP2C19 714/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM CYP1A2 957/4885CYP2C9 975/4885CYP2C19 714/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM CYP1A2 957/4885CYP2C9 975/4885CYP2C19 714/4885

“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.