SCHEMBL15069896

SCHEMBL15069896

CC(C)n1nc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.35
SORT1 Q99523 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAP3K12 Q12852 3/20 0.32
MAPK14 Q16539 2/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL15723710 0.86 MAP3K12 (0.35) MAP3K12
SCHEMBL20932927 0.86 MAP3K12 (0.44) GRNSORT1KDM4EMAP3K12MAPK14
SCHEMBL12859127 0.86 MAP3K12 (0.38) KDM4EMAP3K12
SCHEMBL15723703 0.86 MAP3K12 (0.38) GRNSORT1KDM4EMAP3K12MAPK14
SCHEMBL20047815 0.82 MAPK14 (0.31) GRNSORT1KDM4EMAPK14
SCHEMBL23546913 0.79 MAP3K12 (0.32) KDM4EMAP3K12GAA
SCHEMBL12859123 0.79 MEN1 (0.34) KDM4EMAP3K12POLB
SCHEMBL13487955 0.79 KDM4E (0.36) GRNSORT1KDM4EMAPK14GAA
SCHEMBL2765515 0.79 KDM4E (0.33) GRNSORT1KDM4E
SCHEMBL23403293 0.78 GRN (0.38) GRNSORT1KDM4EMAPK14GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192720-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. 2023-06-22 US disclosed
US-20230192720-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. 2023-06-22 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-9403815-B2 Compounds and uses thereof in modulating levels of various amyloid beta peptide alloforms THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-02 US disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 GRN 3131/4885SORT1 3722/4885KDM4E 4232/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 GRN 3131/4885SORT1 3722/4885KDM4E 4232/4885
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof FXR1, SLC10A1, NR1H4 GRN 4104/4885SORT1 3816/4885KDM4E 4194/4885
US-20230192720-A1 MACROCYCLIC COMPOUNDS MCL1, BCL2A1, BCL2L1 GRN 252/4885SORT1 4429/4885KDM4E 2397/4885
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS IAPP, APP, BACE1 GRN 36/4885SORT1 188/4885KDM4E 4398/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 GRN 3131/4885SORT1 3722/4885KDM4E 4232/4885

“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.