SCHEMBL407288

SCHEMBL407288

O=C(OS(=O)(=O)C(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
P4HTM Q9NXG6 2/20 0.32
GLO1 Q04760 1/20 0.32
GABRA5 P31644 1/20 0.31
LDHA P00338 1/20 0.31
EPHX2 P34913 1/20 0.31
BCHE P06276 1/20 0.31
P2RY12 Q9H244 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL404698 0.83 MAPK1 (0.38) KMT2ARAB9ANPC1L3MBTL1MAPK1
Trifluoromethanesulfonic Acid SCHEMBL407287 0.80 LDHA (0.41) L3MBTL1P4HTMGABRA5LDHA
SCHEMBL10064447 0.75 LDHA (0.53) MAPTLMNAP4HTMGABRA5LDHA
SCHEMBL6638516 0.75 LMNA (0.50) KMT2AL3MBTL1MEN1MAPK1MAPT
SCHEMBL407083 0.73 ALKBH2 (0.34) KMT2AL3MBTL1MEN1LMNAPOLB
SCHEMBL28573797 0.72 PDCD1 (0.49) RAB9ANPC1L3MBTL1KDM4EMAPT
SCHEMBL28830274 0.70 TSHR (0.46) KMT2AEPHX2
SCHEMBL9418408 0.69 CES2 (0.49) KMT2ARAB9ANPC1MEN1MAPK1
SCHEMBL21408400 0.69 ATM (0.41) RAB9AL3MBTL1MAPTLMNAPOLB
SCHEMBL28564573 0.69 CES2 (0.43) KMT2ARAB9ANPC1MEN1MAPK1

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 KMT2A 761/4885RAB9A 619/4885NPC1 634/4885

“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.