SCHEMBL20173745

SCHEMBL20173745

COC(=O)c1c(F)cc(C(C)C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL22358676 0.88 EIF4A3 (0.38) EIF4A3FABP3FABP4MAPTNPC1
SCHEMBL24861762 0.85 DPP4 (0.41) MAPTNPC1RAB9ACA12CA1
SCHEMBL24861766 0.85 DPP4 (0.41) MAPTNPC1RAB9ACA12CA1
SCHEMBL21977601 0.85 CA12 (0.39) MAPTCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL31472592 0.84 DPP4 (0.40) MAPTNPC1RAB9ACA12CA1
SCHEMBL30730119 0.83 CA12 (0.38) MAPTCA12CA1CA2CA7
SCHEMBL1110779 0.79 KMT2A (0.49) MAPTNPC1RAB9ACA12CA1
SCHEMBL23657110 0.79 EIF4A3 (0.41) EIF4A3FABP3FABP4MAPTLMNA
SCHEMBL19245855 0.78 FABP3 (0.62) FABP3FABP4MAPTNPC1RAB9A
SCHEMBL522695 0.78 KDM4E (0.57) MAPTNPC1RAB9ACA12CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS MIDWESTERN UNIVERSITY 2021-04-01 US disclosed
US-10961211-B2 Isotopically-stabilized tetronimide compounds MIDWESTERN UNIVERSITY (US) 2021-03-30 US disclosed
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds MIDWESTERN UNIVERSITY 2020-08-20 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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 (5 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-10961211-B2 Isotopically-stabilized tetronimide compounds ASPH, BACE1, DNPEP EIF4A3 2596/4885FABP3 200/4885FABP4 564/4885
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds ASPH, BACE1, DNPEP EIF4A3 2596/4885FABP3 200/4885FABP4 564/4885
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS ASPH, BACE1, DNPEP EIF4A3 2596/4885FABP3 200/4885FABP4 564/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 EIF4A3 1281/4885FABP3 530/4885FABP4 928/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 EIF4A3 1281/4885FABP3 530/4885FABP4 928/4885

“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.