SCHEMBL16364166

SCHEMBL16364166

CC(=O)N(CCCP(=O)(O)O)OCc1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.38
S1PR3 Q99500 2/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KMT2A Q03164 1/20 0.37
FABP7 O15540 1/20 0.36
FABP3 P05413 1/20 0.36
FABP5 Q01469 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAPK1 P28482 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
SCHEMBL16352125 0.91 KMT2A (0.40) FFAR1FFAR4KMT2AFABP7FABP3
SCHEMBL16363842 0.86 FFAR1 (0.36) FFAR1FFAR4SLC6A2SLC6A4MAPK1
SCHEMBL16364163 0.83 S1PR3 (0.40) S1PR3
SCHEMBL16352173 0.82 CETP (0.46)
SCHEMBL16352149 0.81 FFAR4 (0.37) FFAR1FFAR4KMT2AFABP7FABP3
SCHEMBL16363234 0.81 ACP3 (0.46) KMT2A
SCHEMBL16363712 0.80 NR4A2 (0.40) FFAR1FFAR4
SCHEMBL16363706 0.75 S1PR2 (0.44) S1PR3
SCHEMBL16322458 0.74 S1PR2 (0.43) S1PR3
SCHEMBL16363230 0.74 S1PR2 (0.46) S1PR3

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-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 US 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-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE DCXR, G6PD, GRHPR PLA2G2A 4879/4885S1PR3 2595/4885FFAR1 1498/4885

“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.