SCHEMBL406730

SCHEMBL406730

COC(=O)c1ccc(S(OS(=O)(=O)C(F)(F)F)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
POLB P06746 3/20 0.48
FBP1 P09467 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL37033 0.81 HTR6 (0.42) TSHRCA12CA1CA2CA9
SCHEMBL36493 0.79 PKM (0.47) POLBCA1CA2ALDH1A1GAA
SCHEMBL3143634 0.79 PKM (0.47) POLBCA1CA2ALDH1A1GAA
SCHEMBL548280 0.79 ESR1 (0.42) TSHRPOLBCA12CA1CA2
SCHEMBL36148 0.79 HTT (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL444803 0.79 PTGS2 (0.44) PTGS2
SCHEMBL3136958 0.79 HTT (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL28491479 0.78 POLB (0.66) TSHRPOLBFBP1CA12CA1
SCHEMBL3190750 0.78 CA2 (0.43) POLBCA1CA2ALDH1A1KDM4E
SCHEMBL245133 0.78 GAA (0.47) TSHRPOLBALDH1A1GAARAB9A

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 TSHR 1288/4885POLB 2263/4885FBP1 2329/4885

“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.