SCHEMBL16352149

SCHEMBL16352149

CC(=O)N(CCC[PH](=O)O)OCc1ccccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.37
FFAR1 O14842 6/20 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
KDM4E B2RXH2 2/20 0.35
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL16352145 0.83 L3MBTL1 (0.40) FFAR1L3MBTL1
SCHEMBL16352111 0.82 L3MBTL1 (0.45) ALDH1A1L3MBTL1
SCHEMBL16364166 0.81 PLA2G2A (0.38) FFAR4FFAR1KMT2AFABP7FABP3
SCHEMBL16352125 0.81 KMT2A (0.40) FFAR4FFAR1KMT2AFABP7FABP3
SCHEMBL16352156 0.81 MEN1 (0.41) FFAR1KMT2AKDM4EL3MBTL1
SCHEMBL16352147 0.80 NR4A2 (0.40) FFAR4FFAR1L3MBTL1
SCHEMBL16363842 0.77 FFAR1 (0.36) FFAR4FFAR1SLC6A2SLC6A4
SCHEMBL16352140 0.75 HCAR2 (0.38) KDM4EALDH1A1L3MBTL1
SCHEMBL16352141 0.74 LMNA (0.41) FFAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16352144 0.74 SIGMAR1 (0.38) SLC6A2SLC6A4

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 FFAR4 2772/4885FFAR1 1498/4885KMT2A 4441/4885

“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.