Sugi Predict

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SCHEMBL404698

SCHEMBL404698

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ LMNA P02545 4/20 0.36
▸ F2 P00734 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CES1 P23141 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NR1I2 O75469 1/20 0.33

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
SCHEMBL6638516 0.85 LMNA (0.50) MAPK1HIF1ALMNAF2TDP1
SCHEMBL407288 0.83 KMT2A (0.34) MAPK1LMNATDP1KMT2AKDM4E
SCHEMBL28573797 0.82 PDCD1 (0.49) KDM4EMAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL28830274 0.80 TSHR (0.46) TSHRKMT2AALDH1A1HSD17B10HPGD
Trifluoromethanesulfonic Acid SCHEMBL406729 0.80 TSHR (0.49) TDP1TSHRKMT2AALDH1A1MAPT
SCHEMBL407587 0.79 CES2 (0.37) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL28564573 0.78 CES2 (0.43) MAPK1CES1KMT2AMAPTSMN1; SMN2
SCHEMBL28841642 0.77 CES2 (0.52) TSHRCES1KMT2AHSD11B1NPC1
SCHEMBL778826 0.77 TDP1 (0.50) LMNATDP1CES1KMT2AALDH1A1
SCHEMBL407083 0.76 ALKBH2 (0.34) LMNATDP1KMT2AALDH1A1L3MBTL1

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 6 patents. 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
EP-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 — — EP disclosed
EP-2376449-A1 TRIARYL-SULPHONIUM COMPOUNDS, KIT AND METHODS FOR LABELING POSITRON EMITTING ISOTOPES Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 — — EP disclosed
US-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 — — US disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 — — WO disclosed
WO-2010066380-A1 TRIARYL-SULPHONIUM COMPOUNDS, KIT AND METHODS FOR LABELING POSITRON EMITTING ISOTOPES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 — — WO 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 (2 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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA APP, APBA1, BACE1 MAPK1 4437/4885HIF1A 1824/4885LMNA 781/4885
US-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST MAPK1 3067/4885HIF1A 2999/4885LMNA 3824/4885

“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.