SCHEMBL13487525

SCHEMBL13487525

CC(C)c1cc(C(C)(C)C)nn1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.40
SORT1 Q99523 3/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.35
MAPK14 Q16539 3/20 0.31
MAPK13 O15264 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
ALDH1A1 P00352 1/20 0.31
JAK2 O60674 1/20 0.31

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
SCHEMBL15723714 0.85 ESR1 (0.32)
SCHEMBL13605208 0.82 PTGS1 (0.38) KDM4E
SCHEMBL13487955 0.78 KDM4E (0.36) GRNSORT1KDM4EGAAMAPK14
SCHEMBL15069896 0.78 GRN (0.35) GRNSORT1KDM4EGAAMAPK14
SCHEMBL2609439 0.78 GRN (0.52) GRNSORT1KDM4EGAAMAPK14
SCHEMBL23403293 0.76 GRN (0.38) GRNSORT1KDM4EGAAMAPK14
SCHEMBL2950904 0.76 KDM4E (0.46) GRNSORT1KDM4EGAAMAPK14
SCHEMBL15723866 0.76 GRN (0.34) GRNSORT1KDM4EGAAMAPK14
Hydrochloric Acid SCHEMBL1011658 0.74 KDM4E (0.45) GRNSORT1KDM4EMAPK14
SCHEMBL5061899 0.74 GRN (0.62) GRNSORT1KDM4EGAAMAPK14

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-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 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 (3 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-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof FXR1, SLC10A1, NR1H4 GRN 4104/4885SORT1 3816/4885KDM4E 4194/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 GRN 3131/4885SORT1 3722/4885KDM4E 4232/4885
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 GRN 1947/4885SORT1 4514/4885KDM4E 2770/4885

“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.