SCHEMBL301387

SCHEMBL301387

C[Si](C)(C)C#CC(=O)CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.46
LMNA P02545 2/20 0.40
TSHR P16473 6/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL302058 0.87 EGLN1 (0.41) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL11347415 0.81 CES1 (0.42) SLC22A6TSHRAKR1B1GPR84PPARG
SCHEMBL13297947 0.79 CES2 (0.44) SLC22A6TSHRAKR1B1GPR84PPARG
SCHEMBL25224556 0.75 TSHR (0.50) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL7315206 0.72 PTPN7 (0.50) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL710828 0.71 PTPN7 (0.57) LMNATSHRNFKB1PMP22AKR1B1
Glutarate SCHEMBL1533374 0.71 SLC22A6 (0.92) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL17613179 0.69 SLC22A6 (0.44) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL22029362 0.69 PTPN7 (0.60) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL9551566 0.69 PTPN7 (0.60) SLC22A6LMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
EP-2403538-B1 CONJUGATED PROTEINS AND PEPTIDES POLYTHERICS LTD (GB) 2017-10-04 EP disclosed
EP-2403538-B1 CONJUGATED PROTEINS AND PEPTIDES POLYTHERICS LTD (GB) 2017-10-04 EP disclosed
WO-2017064701-A1 METHODS FOR TOTAL SYNTHESIS OF RESOLVIN E1 SALZMAN LOVELACE INVESTMENTS, LTD. (IL) 2017-04-20 WO disclosed
US-9415115-B2 Conjugated proteins and peptides POLYTHERICS LIMITED (GB) 2016-08-16 US disclosed
US-9415115-B2 Conjugated proteins and peptides POLYTHERICS LIMITED (GB) 2016-08-16 US disclosed
US-9415115-B2 Conjugated proteins and peptides POLYTHERICS LIMITED (GB) 2016-08-16 US disclosed
US-9315447-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2016-04-19 US disclosed
US-9315447-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2016-04-19 US disclosed
US-20150216994-A1 CONJUGATED PROTEINS AND PEPTIDES ABZENA (CAMBRIDGE) LIMITED (GB) 2015-08-06 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
EP-2276756-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-26 EP disclosed
EP-2274296-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-19 EP disclosed
WO-2010100430-A1 CONJUGATED PROTEINS AND PEPTIDES POLYTHERICS LIMITED (GB) 2010-09-10 WO disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009123870-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
WO-2009124167-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 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 (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-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SLC22A6 4031/4885LMNA 1232/4885TSHR 351/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SLC22A6 4031/4885LMNA 1232/4885TSHR 351/4885
US-20150216994-A1 CONJUGATED PROTEINS AND PEPTIDES CRKL, C1QBP, ARGLU1 SLC22A6 2830/4885LMNA 3037/4885TSHR 1201/4885

“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.