SCHEMBL20173746

SCHEMBL20173746

CC(C)c1cc(F)c(C(=O)O)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.61
FABP4 P15090 1/20 0.61
EIF4A3 P38919 5/20 0.54
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 4/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
FABP2 P12104 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C4 P17516 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
AKR1C1 Q04828 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL22358741 0.87 FABP3 (0.52) FABP3FABP4EIF4A3AKR1C3AKR1C2
SCHEMBL18589751 0.82 FABP3 (0.47) FABP3FABP4EIF4A3AKR1C3AKR1C2
SCHEMBL1596958 0.82 CES2 (0.41) FABP3FABP4EIF4A3AKR1C3AKR1C2
SCHEMBL21977924 0.80 DAO (0.44) FABP3FABP4EIF4A3AKR1C3AKR1C2
SCHEMBL21263210 0.78 EIF4A3 (0.50) FABP3FABP4EIF4A3AKR1C3AKR1C2
SCHEMBL20173745 0.78 EIF4A3 (0.42) FABP3FABP4EIF4A3CYP2C9CYP2C19
SCHEMBL23657110 0.76 EIF4A3 (0.41) FABP3FABP4EIF4A3MEN1KMT2A
SCHEMBL24510619 0.76 EIF4A3 (0.49) FABP3FABP4EIF4A3AKR1C3AKR1C2
SCHEMBL810177 0.76 FABP3 (1.00) FABP3FABP4EIF4A3CYP2C9HIF1A
SCHEMBL26027329 0.76 FABP3 (0.63) FABP3FABP4EIF4A3PTGS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
WO-2021108023-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-03 WO disclosed
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 (6 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 FABP3 200/4885FABP4 564/4885EIF4A3 2596/4885
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds ASPH, BACE1, DNPEP FABP3 200/4885FABP4 564/4885EIF4A3 2596/4885
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS ASPH, BACE1, DNPEP FABP3 200/4885FABP4 564/4885EIF4A3 2596/4885
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION PTGER4, PTGER3, PTGER2 FABP3 116/4885FABP4 610/4885EIF4A3 533/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 FABP3 530/4885FABP4 928/4885EIF4A3 1281/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 FABP3 530/4885FABP4 928/4885EIF4A3 1281/4885

“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.