SCHEMBL4030554

SCHEMBL4030554

N#Cc1ccccc1COc1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
ALKBH1 Q13686 1/20 0.58
FFAR1 O14842 1/20 0.57
MRGPRX4 Q96LA9 4/20 0.57
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
SPHK2 Q9NRA0 1/20 0.53
SPHK1 Q9NYA1 1/20 0.53
XDH P47989 1/20 0.53
SRD5A2 P31213 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52

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
SCHEMBL25199114 0.85 CYSLTR1 (0.54) NR4A2NPC1RAB9AALKBH1FFAR1
SCHEMBL6206160 0.84 SPHK2 (0.50) NR4A2NPC1RAB9AALKBH1FFAR1
SCHEMBL6206165 0.84 SPHK2 (0.50) NR4A2NPC1RAB9AALKBH1FFAR1
SCHEMBL6206166 0.84 SPHK2 (0.50) NR4A2NPC1RAB9AALKBH1FFAR1
SCHEMBL15607572 0.82 FFAR1 (0.52) NR4A2NPC1RAB9AALKBH1FFAR1
SCHEMBL9270379 0.82 FFAR1 (0.64) ALKBH1FFAR1SPHK2SPHK1XDH
SCHEMBL1794163 0.82 ALKBH1 (0.54) NR4A2NPC1RAB9AALKBH1FFAR1
SCHEMBL30391934 0.81 SPHK2 (0.48) NR4A2NPC1RAB9AALKBH1FFAR1
SCHEMBL25720523 0.81 SPHK2 (0.48) NR4A2NPC1RAB9AALKBH1FFAR1
SCHEMBL25208110 0.80 FFAR1 (0.48) NR4A2NPC1RAB9AALKBH1FFAR1

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-20250051300-A1 GRAM-NEGATIVE SPECIFIC ANTIBIOTICS SPARING EFFECT ON GUT MICROBIOME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-02-13 US disclosed
WO-2023091873-A1 GRAM-NEGATIVE SPECIFIC ANTIBIOTICS SPARING EFFECT ON GUT MICROBIOME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-25 WO disclosed
WO-2023091873-A1 GRAM-NEGATIVE SPECIFIC ANTIBIOTICS SPARING EFFECT ON GUT MICROBIOME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-25 WO disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 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 (2 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-20250051300-A1 GRAM-NEGATIVE SPECIFIC ANTIBIOTICS SPARING EFFECT ON GUT MICROBIOME ABCE1, LDLR, LIPE NR4A2 2665/4885NPC1 243/4885RAB9A 895/4885
US-20080207636-A1 Compounds Effecting Glucokinase GCKR, GCK, SLC5A2 NR4A2 2186/4885NPC1 1139/4885RAB9A 3175/4885

“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.