SCHEMBL24314130

SCHEMBL24314130

CC(C)C(=O)OCC1(F)c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.38
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL18543964 0.85 APEX1 (0.47) PDK2THRBTDP1APEX1NPSR1
SCHEMBL16965821 0.70 APEX1 (0.42) PDK2THRBTDP1APEX1NPSR1
SCHEMBL24314140 0.70 PDK2 (0.38) PDK2THRBTDP1APEX1ALDH1A1
SCHEMBL24314006 0.67 KMT2A (0.44) PDK2THRBTDP1APEX1
SCHEMBL17938444 0.67 NPC1 (0.49) TDP1ALDH1A1MAPTNPC1
SCHEMBL18663312 0.66 PDK2 (0.43) PDK2THRBTDP1APEX1ALDH1A1
SCHEMBL16034621 0.66 PDK2 (0.39) PDK2THRBTDP1APEX1ALDH1A1
SCHEMBL18663252 0.66 ALDH1A1 (0.50) PDK2THRBTDP1APEX1NPSR1
SCHEMBL17051257 0.66 APEX1 (0.49) PDK2THRBTDP1APEX1NPSR1
SCHEMBL30314618 0.65 APEX1 (0.44) PDK2THRBTDP1APEX1NPSR1

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-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 — — US disclosed
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 — — US disclosed
WO-2022076820-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-04-14 — — 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-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 PDK2 3044/4885THRB 432/4885TDP1 4079/4885

“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.

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