SCHEMBL4548618

SCHEMBL4548618

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
EGFR P00533 2/20 0.34
FYN P06241 2/20 0.34
KDR P35968 1/20 0.34
FGFR2 P21802 1/20 0.33
SRC P12931 1/20 0.33
ALOX5AP P20292 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL21305275 0.85 FYN (0.42) KIF11TRPV1ALDH1A1HPGDALOX15
SCHEMBL25670575 0.81 CHEK1 (0.42) ALDH1A1EGFRKDRPARP1MAPT
SCHEMBL24067388 0.80 CYP1A2 (0.46) ALDH1A1HPGDMEN1KMT2A
SCHEMBL25670631 0.80 EGFR (0.47) HRH3EGFRKDRKCNH2MEN1
SCHEMBL2054670 0.80 PI4KA (0.48) ALDH1A1HRH4HRH3ALOX5APMEN1
SCHEMBL12775436 0.80 TRPA1 (0.40) EGFRKDRPDE10AMEN1KMT2A
SCHEMBL25670582 0.80 EGFR (0.41) ALDH1A1HPGDALOX15HSD17B10EGFR
SCHEMBL20047527 0.77 EGFR (0.36) KIF11ALDH1A1ALOX15HSD17B10TDP1
SCHEMBL22393623 0.77 TRPV1 (0.44) TRPV1ALDH1A1HPGDHSD17B10TDP1
SCHEMBL12775275 0.77 EGFR (0.51) EGFRPDE10AMAPT

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 9 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-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
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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 KIF11 3896/4885TRPV1 956/4885ALDH1A1 1577/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 KIF11 3896/4885TRPV1 956/4885ALDH1A1 1577/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 KIF11 3422/4885TRPV1 792/4885ALDH1A1 1706/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KIF11 3526/4885TRPV1 3658/4885ALDH1A1 81/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 KIF11 3896/4885TRPV1 956/4885ALDH1A1 1577/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 KIF11 3422/4885TRPV1 792/4885ALDH1A1 1706/4885

“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.