Ethane

Ethane

SCHEMBL3344169

CC.O=C(O)C=Cc1cccc(B(O)O)c1

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
TNKS O95271 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
ENPP2 Q13822 1/20 0.53
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TTR P02766 4/20 0.49

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
SCHEMBL1511647 0.97 NPSR1 (0.59) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL856015 0.97 NPSR1 (0.59) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29186330 0.95 NPSR1 (0.57) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30904792 0.95 NPSR1 (0.57) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15985448 0.85 GLA (0.56) NPSR1ENPP2TTRAPPGLA
SCHEMBL2213006 0.81 TTR (0.54) ENPP2KDM4EALDH1A1SMN1; SMN2TTR
SCHEMBL2213002 0.81 TTR (0.54) ENPP2KDM4EALDH1A1SMN1; SMN2TTR
SCHEMBL29445626 0.81 TTR (0.54) ENPP2KDM4EALDH1A1SMN1; SMN2TTR
SCHEMBL15981539 0.81 ENPP2 (0.50) NPSR1ENPP2TTRCYP2C9P4HB
SCHEMBL9214256 0.80 ENPP2 (0.69) ENPP2KDM4EALDH1A1TTRCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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 (1 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD NPSR1 2715/4885HDAC3 1200/4885HDAC4 2266/4885

“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.