SCHEMBL16320889

SCHEMBL16320889

COc1ccc(C=O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
TSHR P16473 1/20 0.54
AOX1 Q06278 1/20 0.50
FDPS P14324 1/20 0.47
HPGD P15428 3/20 0.46
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
TTR P02766 1/20 0.44
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A3 P47895 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL30101140 0.89 ALDH1A1 (0.53) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL25300213 0.89 ALDH1A1 (0.53) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL12512857 0.86 ALDH1A1 (0.41) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL23693218 0.84 FDPS (0.42) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL15210430 0.82 ALDH1A1 (0.39) ALDH1A1TSHRAOX1HPGDTDP1
SCHEMBL5899550 0.80 ALDH1A1 (0.41) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL4190688 0.79 EPHX2 (0.56) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL4190691 0.79 EPHX2 (0.56) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL2557949 0.79 FDPS (0.41) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL16760910 0.79 CA1 (0.47) ALDH1A1MAPTHTTNPSR1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 EP disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
EP-3094626-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-02-19 EP disclosed
EP-3094626-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-02-19 EP disclosed
US-9862713-B2 Substituted bicyclic heteroaryl compounds as RXR agonists CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2018-01-09 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160333004-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-11-17 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
EP-3010903-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
EP-3010905-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
WO-2015107549-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2015-07-23 WO disclosed
WO-2014202580-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2014202580-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2014202528-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO 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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY OXER1, AK2, GPR119 ALDH1A1 598/4885TSHR 967/4885AOX1 411/4885
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 ALDH1A1 210/4885TSHR 3698/4885AOX1 651/4885
US-20160333004-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS RXRA, RXRB, RXRG ALDH1A1 1644/4885TSHR 161/4885AOX1 1488/4885
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY AK2, PRKAA2, PRKAA1 ALDH1A1 358/4885TSHR 630/4885AOX1 716/4885

“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.