SCHEMBL19628512

SCHEMBL19628512

CC(C)(C)c1cnc(C(C)(C)C)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
POLQ O75417 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.31
KIF11 P52732 1/20 0.31
HSP90AA1 P07900 1/20 0.30
ASPH Q12797 1/20 0.30
CFTR P13569 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 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
SCHEMBL13253377 0.85 HSP90AA1 (0.36) KIF11HSP90AA1
SCHEMBL24177969 0.84 POLB (0.39) POLBPKMPOLQAGBL2CFTR
SCHEMBL20457471 0.80 ALDH1A1 (0.34) POLBASPH
SCHEMBL16852159 0.80 AGBL2 (0.34) POLBPKMPOLQAGBL2KIF11
SCHEMBL19117728 0.79 AGBL2 (0.40) POLBPKMAGBL2KIF11
SCHEMBL14019047 0.78 L3MBTL1 (0.42)
SCHEMBL10197339 0.78 HSP90AA1 (0.36) POLBPKMPOLQAGBL2HSP90AA1
SCHEMBL10201441 0.78 MAP3K12 (0.42) HSP90AA1
SCHEMBL19370437 0.78 PIK3CD (0.46) POLBPKMPOLQ
SCHEMBL8580894 0.76 POLB (0.41) POLBAGBL2

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-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 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 POLB 3561/4885PKM 1862/4885POLQ 3916/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 POLB 3989/4885PKM 1704/4885POLQ 4361/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 POLB 3989/4885PKM 1704/4885POLQ 4361/4885

“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.