SCHEMBL6158516

SCHEMBL6158516

CC(C)(C)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 2/20 0.48
▸ FGF2 P09038 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ IDUA P35475 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CES1 P23141 2/20 0.37
▸ HPSE Q9Y251 2/20 0.35
▸ KDM1A O60341 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PRKAB2 O43741 2/20 0.33
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA2 P54646 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PRKAG3 Q9UGI9 2/20 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
SCHEMBL22687791 1.00 CYP2C8 (0.48) CYP2C8FGF2AKT1IDUAKDM4E
SCHEMBL26198123 0.87 CYP2C8 (0.39) CYP2C8FGF2AKT1
SCHEMBL25544636 0.87 CYP2C8 (0.39) CYP2C8FGF2AKT1
SCHEMBL19754838 0.86 CYP2C8 (0.38) CYP2C8
SCHEMBL25544581 0.86 CYP2C8 (0.38) CYP2C8
SCHEMBL23502585 0.84 CYP2C8 (0.53) CYP2C8FGF2AKT1IDUAKDM4E
SCHEMBL10748596 0.80 FGF2 (0.43) CYP2C8FGF2AKT1IDUAKDM4E
SCHEMBL13185767 0.80 FGF2 (0.43) CYP2C8FGF2AKT1IDUAKDM4E
SCHEMBL6013529 0.80 FGF2 (0.43) CYP2C8FGF2AKT1IDUAKDM4E
SCHEMBL15107024 0.80 FGF2 (0.43) CYP2C8FGF2AKT1IDUAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 — — US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 — — US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 — — US disclosed
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-20190083473-A1 AZABICYCLOOCTANE DERIVATIVES AS FXR AGONISTS FOR USE IN THE TREATMENT OF LIVER AND GASTROINTESTINAL DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2019-03-21 — — 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
EP-1200441-B1 PROCESS FOR MAKING MORPHINE-6-GLUCURONIDE AND ITS ANALOGUES USING HALOGLUCURONATE ESTER INTERMEDIATES UFC LTD (GB) 2005-02-09 — — EP disclosed
US-6642366-B1 Conjugation of glycosyl iodide in presence of iodine or iodonium compound; deesterification; cheaper reagents/reactants UFC LIMITED (GB) 2003-11-04 — — 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 (8 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 CYP2C8 291/4885FGF2 2069/4885AKT1 3953/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CYP2C8 291/4885FGF2 2069/4885AKT1 3953/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CYP2C8 3577/4885FGF2 2878/4885AKT1 619/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 CYP2C8 279/4885FGF2 1774/4885AKT1 4125/4885
US-20190083473-A1 AZABICYCLOOCTANE DERIVATIVES AS FXR AGONISTS FOR USE IN THE TREATMENT OF LIVER AND GASTROINTESTINAL DISEASES NR1H4, FXR1, FXR2 CYP2C8 580/4885FGF2 958/4885AKT1 1495/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CYP2C8 291/4885FGF2 2069/4885AKT1 3953/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CYP2C8 3207/4885FGF2 2627/4885AKT1 721/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 CYP2C8 279/4885FGF2 1774/4885AKT1 4125/4885

“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.

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