SCHEMBL13035644

SCHEMBL13035644

O=CCc1cccc(S)c1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
AKR1B1 P15121 1/20 0.33
ERN1 O75460 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
IAPP P10997 2/20 0.31
HMGB1 P09429 1/20 0.30

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
SCHEMBL28526983 0.85 GABRA1 (0.54) GABRA1GABRB2AKR1B1ERN1L3MBTL1
SCHEMBL2042101 0.79 IAPP (0.48) GABRA1GABRB2AKR1B1ERN1IAPP
SCHEMBL1738495 0.79 MAPT (0.33) MEN1MAPTKMT2A
SCHEMBL3378789 0.78 MMP2 (0.44) GABRA1GABRB2AKR1B1ERN1L3MBTL1
SCHEMBL6068654 0.77 GABRA1 (0.70) GABRA1GABRB2L3MBTL1IAPP
SCHEMBL8414772 0.77 MAPT (0.32) MAPT
SCHEMBL18268986 0.76
SCHEMBL1115116 0.76 ERN1 (0.52) GABRA1GABRB2ERN1HMGB1
SCHEMBL3810019 0.76 GABRA1 (0.66) GABRA1GABRB2AKR1B1L3MBTL1MEN1
SCHEMBL2318046 0.76 HSP90AA1 (0.49) GABRA1GABRB2AKR1B1MEN1KMT2A

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-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 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 (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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 GABRA1 1364/4885GABRB2 428/4885AKR1B1 3540/4885

“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.