SCHEMBL9915359

SCHEMBL9915359

CCCCOc1cn(O)c(CO)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
COMT P21964 4/20 0.40
TYR P14679 1/20 0.36
PDE4B Q07343 1/20 0.34
GAA P10253 2/20 0.33
PGAM1 P18669 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL12949557 0.86 COMT (0.39) COMTTYRPDE4BGAATP53
SCHEMBL9915355 0.84 COMT (0.38) COMTPDE4BGAAPGAM1CA9
SCHEMBL8134142 0.81 SMPD1 (0.39) COMTMEN1ALDH1A1MAPTKMT2A
SCHEMBL8128024 0.79 COMT (0.38) COMTTYRMEN1ALDH1A1MAPT
SCHEMBL9291043 0.77 COMT (0.45) COMT
SCHEMBL8136252 0.76 COMT (0.56) COMTMEN1ALDH1A1MAPTKMT2A
SCHEMBL6900184 0.75 COMT (0.63) COMT
SCHEMBL12949563 0.74 CYP1A2 (0.33) GAAALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL8134390 0.73 NPC1 (0.41) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL8130166 0.73 COMT (0.44) COMTTYRMEN1MAPTKMT2A

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 COMT 1386/4885TYR 4830/4885PDE4B 1780/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM COMT 1386/4885TYR 4830/4885PDE4B 1780/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM COMT 1386/4885TYR 4830/4885PDE4B 1780/4885

“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.