SCHEMBL16352147

SCHEMBL16352147

CC(=O)N(CCC[PH](=O)O)OCc1cccc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
AGXT P21549 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39
AKR1B1 P15121 1/20 0.39
AOC3 Q16853 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP12 P39900 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
MMP9 P14780 1/20 0.37
BCL2 P10415 3/20 0.37
PTGES O14684 1/20 0.36
MGLL Q99685 1/20 0.36
PTGS2 P35354 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
SCHEMBL16352145 0.89 L3MBTL1 (0.40) AGXTFFAR1L3MBTL1PTGS2
SCHEMBL16352111 0.89 L3MBTL1 (0.45) L3MBTL1PTGS2
SCHEMBL16352153 0.85 MAOB (0.43) AGXTFFAR1FFAR4MMP1MMP2
SCHEMBL16352144 0.82 SIGMAR1 (0.38)
SCHEMBL16363712 0.81 NR4A2 (0.40) NR4A2AGXTFFAR1FFAR4AKR1B1
SCHEMBL16352124 0.81 NR4A2 (0.40) NR4A2AGXTFFAR1FFAR4AKR1B1
SCHEMBL16352159 0.80 MRGPRX4 (0.39) FFAR4MMP2MRGPRX4MMP9
SCHEMBL16352149 0.80 FFAR4 (0.37) FFAR1FFAR4L3MBTL1
SCHEMBL16352150 0.80 ATM (0.44)
SCHEMBL16352140 0.79 HCAR2 (0.38) AKR1B1L3MBTL1

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 NR4A2 2395/4885AGXT 16/4885FFAR1 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.