SCHEMBL3451006

SCHEMBL3451006

COC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
DGAT1 O75907 1/20 0.43
ALPL P05186 1/20 0.41
PSMD14 O00487 1/20 0.41
HIF1A Q16665 3/20 0.39
SNCA P37840 1/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CXCR2 P25025 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23262307 0.90 HTT (0.50) ALOX15HTTDGAT1ALPLMAPK1
SCHEMBL13348446 0.84 ALOX15 (0.39) ALOX15HTTDGAT1PSMD14MAPK1
SCHEMBL29750908 0.82 PTPN11 (0.47) ALOX15HTTDGAT1HIF1A
SCHEMBL1623079 0.82 PTPN11 (0.47) ALOX15HTTDGAT1HIF1A
SCHEMBL31162850 0.81 HDAC1 (0.44) ALOX15HTTDGAT1HIF1AKDM4E
SCHEMBL15774244 0.81 HDAC1 (0.44) ALOX15HTTDGAT1HIF1AKDM4E
SCHEMBL26623600 0.80 P4HB (0.38) DGAT1ALPLHIF1ACXCR2EGFR
SCHEMBL23217904 0.80 CA1 (0.41) DGAT1ALPLHIF1AMAPK1ALDH1A1
SCHEMBL10466162 0.78 HTT (0.67) ALOX15HTTALPLPSMD14MAPK1
SCHEMBL20392825 0.78 SNCA (0.50) DGAT1ALPLSNCAALDH1A1HPGD

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
WO-2014086697-A1 SUBSTITUTED THIAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO 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 ALOX15 540/4885HTT 3861/4885DGAT1 3787/4885

“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.