SCHEMBL25199114

SCHEMBL25199114

COC(=O)c1cccc(OCc2ccccc2C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 1/20 0.54
SPHK2 Q9NRA0 2/20 0.53
SPHK1 Q9NYA1 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
FFAR1 O14842 1/20 0.51
MAOB P27338 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NR4A2 P43354 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
PPARG P37231 3/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HIF1A Q16665 1/20 0.47
ALKBH1 Q13686 1/20 0.47
ESR1 P03372 1/20 0.46

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
SCHEMBL4030554 0.85 NR4A2 (0.67) CYSLTR1SPHK2SPHK1MRGPRX4FFAR1
SCHEMBL30391934 0.83 SPHK2 (0.48) SPHK2SPHK1MRGPRX4FFAR1MAOB
SCHEMBL25720523 0.83 SPHK2 (0.48) SPHK2SPHK1MRGPRX4FFAR1MAOB
SCHEMBL20788374 0.82 CYSLTR1 (0.56) CYSLTR1MRGPRX4FFAR1MAOBNPC1
SCHEMBL6244114 0.80 PTGER1 (0.55) CYSLTR1MRGPRX4FFAR1MAOBNPC1
SCHEMBL15607572 0.79 FFAR1 (0.52) SPHK2SPHK1FFAR1MAOBNPC1
SCHEMBL24502891 0.78 SMPD1 (0.53) CYSLTR1MRGPRX4MAOBNPC1RAB9A
SCHEMBL6206160 0.78 SPHK2 (0.50) SPHK2SPHK1MRGPRX4FFAR1MAOB
SCHEMBL6206165 0.78 SPHK2 (0.50) SPHK2SPHK1MRGPRX4FFAR1MAOB
SCHEMBL6206166 0.78 SPHK2 (0.50) SPHK2SPHK1MRGPRX4FFAR1MAOB

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 3 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

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-20250051300-A1 GRAM-NEGATIVE SPECIFIC ANTIBIOTICS SPARING EFFECT ON GUT MICROBIOME ABCE1, LDLR, LIPE CYSLTR1 2982/4885SPHK2 1474/4885SPHK1 1179/4885

“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.