SCHEMBL20047527

SCHEMBL20047527

CC(C)c1ccc2c(C(C)(C)C)ncnc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KIF11 P52732 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
SCN4A P35499 1/20 0.32
LMNA P02545 3/20 0.32
FYN P06241 2/20 0.32
SRC P12931 1/20 0.32
TBK1 Q9UHD2 2/20 0.31
FLT3 P36888 2/20 0.31
AURKA O14965 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
SCHEMBL25670575 0.77 CHEK1 (0.42) EGFRIRAK4ALDH1A1KDM4EMAPT
SCHEMBL4548618 0.77 KIF11 (0.36) EGFRALDH1A1MEN1MAPTKMT2A
SCHEMBL10058352 0.77 KIF11 (0.40) EGFRIRAK4NPC1RAB9AALDH1A1
SCHEMBL14442426 0.77 IRAK4 (0.41) EGFRIRAK4NPC1RAB9AALDH1A1
SCHEMBL25670586 0.76 KMT2A (0.40) EGFRIRAK4NPC1RAB9AALDH1A1
SCHEMBL24067388 0.76 CYP1A2 (0.46) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12775436 0.76 TRPA1 (0.40) EGFRMEN1KMT2AMAP4K4CSF1R
SCHEMBL17249514 0.76 PI4KA (0.48) EGFRIRAK4NPC1RAB9AALDH1A1
SCHEMBL14572004 0.76 EGFR (0.40) EGFRIRAK4NPC1RAB9AALDH1A1
SCHEMBL25670582 0.76 EGFR (0.41) EGFRIRAK4ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 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-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 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 (4 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 EGFR 2440/4885IRAK4 1966/4885NPC1 52/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 EGFR 2440/4885IRAK4 1966/4885NPC1 52/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 EGFR 2014/4885IRAK4 1827/4885NPC1 56/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 EGFR 2014/4885IRAK4 1827/4885NPC1 56/4885

“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.