SCHEMBL13035643

SCHEMBL13035643

O=Cc1cccc(SCCCOCc2ccccc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.39
SRC P12931 1/20 0.37
ERN1 O75460 5/20 0.36
PTGS2 P35354 3/20 0.36
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
AR P10275 2/20 0.34
TSHR P16473 1/20 0.34
NAAA Q02083 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13073696 0.82 PTGS2 (0.50) ERN1PTGS2TLR2TLR1TLR6
SCHEMBL455754 0.78 CCNB2 (0.50) SRCERN1TLR2TLR1TLR6
SCHEMBL13035641 0.78 TEAD3 (0.32) TEAD3SRCAR
SCHEMBL13035642 0.77 DGAT1 (0.34) TEAD3TDP1L3MBTL1
SCHEMBL3633752 0.77 POLB (0.47) ERN1TLR2TLR1TLR6TSHR
SCHEMBL16706971 0.76 PTGS2 (0.50) ERN1PTGS2TLR2TLR1TLR6
SCHEMBL22384744 0.71 TSHR (0.52) TEAD3TSHRNAAATDP1L3MBTL1
Methane SCHEMBL7763342 0.71 L3MBTL1 (0.45) SRCERN1ARTDP1L3MBTL1
SCHEMBL453400 0.70 L3MBTL1 (0.40) TEAD3ERN1ARTDP1L3MBTL1
SCHEMBL452893 0.70 ERN1 (0.41) TEAD3ERN1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164331-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-11-29 EP disclosed
US-9796735-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-7816344-B2 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 US 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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 TEAD3 1857/4885SRC 2823/4885ERN1 2353/4885
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics OXA1L, TLR1, OXER1 TEAD3 1104/4885SRC 4082/4885ERN1 3587/4885

“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.