SCHEMBL407772

SCHEMBL407772

O=[C]CNC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC1 Q13547 2/20 0.42
HPGD P15428 2/20 0.42
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL237683 0.84 GAA (0.63) LMNAPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL403360 0.81 HDAC3 (0.49) LMNAPOLBRAB9ANPC1HDAC6
SCHEMBL6538970 0.79 NR1H4 (0.51) LMNAPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL8374747 0.75 GFER (0.55) LMNAGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL3993028 0.75 LMNA (0.59) LMNAPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL10545735 0.74 KDM4E (0.59) LMNAPOLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL8372261 0.74 CYP1A2 (0.58) LMNAPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL8374746 0.74 NPC1 (0.51) LMNAPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL7272796 0.73 GPR139 (0.60) LMNAPOLBGAASMN1; SMN2RAB9A
SCHEMBL3205192 0.73 MAPT (0.61) LMNASMN1; SMN2ALDH1A1RAB9ANPC1

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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST LMNA 3824/4885POLB 2263/4885GAA 531/4885

“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.