SCHEMBL3371322

SCHEMBL3371322

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn(CC)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 10/20 0.39
KDM4E B2RXH2 7/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
UCHL1 P09936 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MIF P14174 1/20 0.35
PFKFB3 Q16875 1/20 0.35

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
SCHEMBL3447014 0.90 BAZ2B (0.41) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3449125 0.88 BAZ2B (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3451198 0.85 F11 (0.37) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13348088 0.84 LMNA (0.36) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16549927 0.84 UCHL1 (0.39) LMNAALDH1A1KDM4ECYP1A2HTT
SCHEMBL13348361 0.83 LMNA (0.40) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19484578 0.79 LIPG (0.37)
SCHEMBL3448797 0.76 CNR1 (0.37) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21580874 0.76 KDM4E (0.42) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10184702 0.76 TSHR (0.42) ALDH1A1HSD17B10GAAUCHL1

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 5 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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
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
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 LMNA 1717/4885ALDH1A1 530/4885KDM4E 3882/4885

“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.