SCHEMBL1010163

SCHEMBL1010163

Clc1ccc(Br)cc1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
PTGES O14684 1/20 0.50
CCR5 P51681 2/20 0.48
SLC5A2 P31639 1/20 0.46
APP P05067 1/20 0.45
BCHE P06276 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44

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
SCHEMBL29816877 1.00 MAOB (0.51) MAOBPTGESCCR5SLC5A2APP
SCHEMBL30137004 0.85 MEN1 (0.44) MAOBCCR5SLC6A2SLC6A3HIF1A
SCHEMBL27771937 0.85 MEN1 (0.44) MAOBCCR5SLC6A2SLC6A3HIF1A
SCHEMBL1009096 0.83 MAOB (0.51) MAOBPTGESCCR5APPBCHE
SCHEMBL27368089 0.82 L3MBTL1 (0.44) CCR5SLC5A2
SCHEMBL38651021 0.82 L3MBTL1 (0.44) CCR5SLC5A2
SCHEMBL28150597 0.82 MAOB (0.55) MAOBBCHELMNACYP1A2PTGS1
SCHEMBL38150 0.81 SLC5A2 (0.53) SLC5A2
SCHEMBL29386304 0.81 SLC5A2 (0.53) SLC5A2
SCHEMBL29816937 0.81 MAOA (0.59) MAOBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106892948-B Glucopyranosyl derivative and application thereof in medicine 宜昌东阳光长江药业股份有限公司 2022-07-26 CN disclosed
US-9394329-B2 Glucopyranosyl derivatives and their uses in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-07-19 US disclosed
US-20150266916-A1 GLUCOPYRANOSYL DERIVATIVES AND THEIR USES IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-09-24 US disclosed
CN-101998962-A Novel aromatic fluoroglycoside derivatives, medicaments containing said compounds and the use thereof SANOFI AVENTIS 2011-03-30 CN disclosed
US-20110059910-A1 Novel aromatic fluoroglycoside derivatives, pharmaceuticals comprising said compounds and the use thereof SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
EP-2268653-A2 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICALS COMPRISING SAID COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-01-05 EP disclosed
WO-2009100936-A2 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICALS COMPRISING SAID COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2009-08-20 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 (2 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-20150266916-A1 GLUCOPYRANOSYL DERIVATIVES AND THEIR USES IN MEDICINE SLC5A2, SLC5A1, UGGT1 MAOB 3066/4885PTGES 701/4885CCR5 1584/4885
US-20110059910-A1 Novel aromatic fluoroglycoside derivatives, pharmaceuticals comprising said compounds and the use thereof SLC5A2, SLC5A1, SLC2A2 MAOB 1135/4885PTGES 3061/4885CCR5 1470/4885

“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.