SCHEMBL3447014

SCHEMBL3447014

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 7/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 2/20 0.36
UCHL1 P09936 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL3371322 0.90 LMNA (0.40) BAZ2BBAZ2AALDH1A1KDM4EGAA
SCHEMBL3449125 0.89 BAZ2B (0.39) BAZ2BBAZ2AALDH1A1KDM4EGAA
SCHEMBL3448797 0.78 CNR1 (0.37) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL16549927 0.76 UCHL1 (0.39) BAZ2BBAZ2AALDH1A1KDM4EUCHL1
SCHEMBL3449876 0.76 MAPT (0.32) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL3451528 0.75 BAZ2B (0.48) BAZ2BBAZ2AALDH1A1KDM4EGAA
SCHEMBL13348088 0.75 LMNA (0.36) BAZ2BBAZ2AALDH1A1KDM4EGAA
SCHEMBL3451198 0.74 F11 (0.37) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3447652 0.74 SMN1; SMN2 (0.53) ALDH1A1
SCHEMBL21580874 0.73 KDM4E (0.42) BAZ2BBAZ2AALDH1A1KDM4EGAA

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 4 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

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 BAZ2B 4390/4885BAZ2A 4378/4885ALDH1A1 530/4885

“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.