SCHEMBL20043191

SCHEMBL20043191

CC(C)(C)OC(=O)CNC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.39
CA14 Q9ULX7 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DGAT1 O75907 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2D6 P10635 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
TET2 Q6N021 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL22892465 0.83 CA14 (0.50) PTPRCCA14CA12CA2TDP1
SCHEMBL6610608 0.81 MEN1 (0.41) PTPRCCA14CA12CA2TDP1
SCHEMBL12388730 0.81 TET2 (0.54) CA14CA12CA2PREPFAP
SCHEMBL16675239 0.81 MLYCD (0.41) CA14TDP1DGAT1L3MBTL1MAOA
SCHEMBL20047413 0.81 RIPK1 (0.43) PTPRCCA14CA12CA2TDP1
SCHEMBL125503 0.79 TDP1 (0.52) CA14CA12CA2TDP1MAOA
SCHEMBL6937980 0.79 MEN1 (0.40) PTPRCCA14CA12CA2TDP1
SCHEMBL7660758 0.79 PTPRC (0.40) PTPRCCA14CA12CA2TDP1
SCHEMBL23894059 0.78 CA2 (0.41) PTPRCCA14CA12CA2TDP1
SCHEMBL783009 0.78 CA2 (0.41) PTPRCCA14CA12CA2TDP1

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 8 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-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 US disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 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 PTPRC 3006/4885CA14 3222/4885CA12 3445/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 PTPRC 3006/4885CA14 3222/4885CA12 3445/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 PTPRC 3025/4885CA14 3265/4885CA12 3546/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 PTPRC 3006/4885CA14 3222/4885CA12 3445/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 PTPRC 3025/4885CA14 3265/4885CA12 3546/4885
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS NR4A3, NR4A1, NR3C1 PTPRC 243/4885CA14 4201/4885CA12 4749/4885

“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.