SCHEMBL9915310

SCHEMBL9915310

CCCCOc1cnc(COS(C)(=O)=O)cc1OCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CYP19A1 P11511 2/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
TSHR P16473 2/20 0.33
CA7 P43166 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC2A1 P11166 2/20 0.32
WDR5 P61964 1/20 0.32
MEN1 O00255 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
SCHEMBL14124916 0.77 CYP19A1 (0.43) NPC1RAB9ACYP19A1CA1CA2
SCHEMBL16748702 0.77 ALDH1A1 (0.44) CA9TSHRALDH1A1LMNAMAPT
SCHEMBL17974336 0.75 NAAA (0.38) NPC1RAB9ACA1CA2CA12
SCHEMBL9915401 0.74 CYP1A2 (0.37) NPC1RAB9ATSHRALDH1A1GAA
SCHEMBL9915402 0.74 CYP1A2 (0.41) NPC1RAB9AKDM4ETLR8CYP1A2
SCHEMBL9915311 0.74 CYP1A2 (0.37) NPC1RAB9AALDH1A1MEN1GAA
SCHEMBL17553854 0.72 CA1 (0.44) NPC1RAB9ACA1CA2CA12
SCHEMBL15273807 0.72 PRKDC (0.33) TSHRALDH1A1LMNAGAAMAPT
SCHEMBL6608422 0.69 PDE4B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9915365 0.68 MAPT (0.44) NPC1RAB9ATSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US 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 NPC1 3628/4885RAB9A 2614/4885PDE3B 2988/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM NPC1 3628/4885RAB9A 2614/4885PDE3B 2988/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM NPC1 3628/4885RAB9A 2614/4885PDE3B 2988/4885

“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.