SCHEMBL463907

SCHEMBL463907

O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(Br)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.65
ALDH1A1 P00352 5/20 0.60
LMNA P02545 4/20 0.60
TSHR P16473 1/20 0.60
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NFKBIA P25963 2/20 0.53
RELA Q04206 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
SLC40A1 Q9NP59 1/20 0.53
POLB P06746 3/20 0.53
MCOLN3 Q8TDD5 3/20 0.51
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
CYP1A2 P05177 1/20 0.46

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
SCHEMBL12050287 0.78 THRB (0.63) THRBALDH1A1LMNATSHRMEN1
SCHEMBL11973892 0.77 THRB (0.65) THRBALDH1A1LMNATSHRMEN1
SCHEMBL463967 0.76 ALDH1A1 (0.58) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL5410713 0.74 MCOLN3 (0.78) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL27826914 0.74 MCOLN3 (0.55) ALDH1A1LMNATDP1POLBMCOLN3
SCHEMBL27826958 0.74 MCOLN3 (0.72) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL15881314 0.73 HPGD (0.54) THRBALDH1A1LMNATSHRMEN1
SCHEMBL16296992 0.71 THRB (0.51) THRBALDH1A1LMNATSHRMEN1
SCHEMBL16296830 0.71 THRB (0.51) THRBALDH1A1LMNATSHRMEN1
SCHEMBL16097913 0.71 KMT2A (0.72) THRBALDH1A1LMNATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064062-A1 INHIBITORS OF BACTERIAL PLASMINOGEN ACTIVATORS MICROBIOTIX, INC. 2012-03-15 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-20120064062-A1 INHIBITORS OF BACTERIAL PLASMINOGEN ACTIVATORS PLG, PLAU, TFPI THRB 2609/4885ALDH1A1 4200/4885LMNA 1650/4885

“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.