SCHEMBL20047696

SCHEMBL20047696

CC(C)c1cc2ccc(C(C)(C)C)nc2cc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCND3 P30281 3/20 0.34
CDK7 P50613 3/20 0.34
CDK9 P50750 3/20 0.34
CCNH P51946 3/20 0.34
MNAT1 P51948 3/20 0.34
CDK6 Q00534 3/20 0.34
CDK5 Q00535 3/20 0.34
CDK5R1 Q15078 3/20 0.34
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CCR4 P51679 1/20 0.32
EIF4A3 P38919 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
SCHEMBL23872162 0.80 EIF4A3 (0.33) EIF4A3
SCHEMBL20049240 0.78 EIF4A3 (0.33) EIF4A3
SCHEMBL20043186 0.78 KCNH2 (0.34) CCNA2CDK2CDK5CDK5R1KCNH2
SCHEMBL9220628 0.74 TERT (0.41) KCNH2HRH3
SCHEMBL20047702 0.74 EIF4A3 (0.33) CCR4EIF4A3
SCHEMBL14072407 0.73 NPC1 (0.38) KCNH2HRH3EIF4A3
SCHEMBL10024929 0.71 PSMB5 (0.40) KCNH2HRH3EIF4A3
SCHEMBL21161221 0.71 KCNH2 (0.31) KCNH2HRH3
SCHEMBL10220179 0.70 BACE1 (0.53) KCNH2HRH3
SCHEMBL21161371 0.70 PDE2A (0.37) KCNH2EIF4A3

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-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

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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CCNT1 4836/4885CCNA2 4854/4885CDK2 4501/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CCNT1 4836/4885CCNA2 4854/4885CDK2 4501/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CCNT1 4836/4885CCNA2 4854/4885CDK2 4501/4885

“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.