SCHEMBL463967

SCHEMBL463967

O=S(=O)(Nc1ccccc1-c1ccccc1)c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.57
MCOLN3 Q8TDD5 3/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
TP53 P04637 2/20 0.54
BRAF P15056 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
PKM P14618 2/20 0.53
PGAM1 P18669 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
CCR2 P41597 1/20 0.51
NFKBIA P25963 1/20 0.51
RELA Q04206 1/20 0.51
GLO1 Q04760 1/20 0.51

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
SCHEMBL7594332 0.85 ALDH1A1 (0.71) ALDH1A1NPC1GAAMCOLN3LMNA
SCHEMBL9931486 0.80 CCR2 (0.70) LMNAMEN1KMT2ABRAFPKM
SCHEMBL16296678 0.78 MAPT (0.57) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL7569883 0.78 PKM (0.79) ALDH1A1NPC1GAAMCOLN3LMNA
SCHEMBL7578803 0.78 TP53 (0.73) ALDH1A1NPC1GAAMCOLN3MEN1
SCHEMBL15009888 0.78 ALDH1A1 (0.61) ALDH1A1NPC1GAAMCOLN3LMNA
SCHEMBL10878905 0.78 ALDH1A1 (0.61) ALDH1A1NPC1GAAMCOLN3LMNA
SCHEMBL7578741 0.78 BRAF (0.68) ALDH1A1NPC1GAAMCOLN3LMNA
SCHEMBL5410713 0.76 MCOLN3 (0.78) ALDH1A1GAAMCOLN3LMNAMEN1
SCHEMBL4709087 0.76 MEN1 (0.84) ALDH1A1GAALMNAMEN1KMT2A

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 ALDH1A1 4200/4885NPC1 3830/4885GAA 865/4885

“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.