SCHEMBL16451615

SCHEMBL16451615

Cc1ccc(S(=O)(=O)OCC(F)C(F)(F)S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
STAT3 P40763 2/20 0.39
CYP2D6 P10635 1/20 0.38
AGER Q15109 1/20 0.37
DHODH Q02127 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL18771515 0.87 AGER (0.38) ALDH1A1KMT2AMEN1STAT3CYP2D6
SCHEMBL16451619 0.85 SMN1; SMN2 (0.37) ALDH1A1KMT2AMEN1
SCHEMBL336511 0.79 AGER (0.44) ALDH1A1KMT2ASTAT3CYP2D6AGER
SCHEMBL179049 0.79 AGER (0.44) ALDH1A1KMT2ASTAT3CYP2D6AGER
SCHEMBL9455442 0.78 STAT3 (0.40) ALDH1A1KMT2AMEN1STAT3CYP2D6
SCHEMBL29958689 0.78 AGER (0.43) ALDH1A1KMT2AMEN1STAT3CYP2D6
SCHEMBL2823373 0.78 AGER (0.43) ALDH1A1KMT2AMEN1STAT3CYP2D6
SCHEMBL12257095 0.78 KMT2A (0.44) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL16451617 0.77 ADRB2 (0.47) ALDH1A1KMT2AGAAPOLBCA12
SCHEMBL546974 0.77 STAT3 (0.42) ALDH1A1KMT2AMEN1STAT3CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 US disclosed
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 US disclosed
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-12 US disclosed
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-12 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-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE SQOR, ACSL3, ARSA ALDH1A1 573/4885KMT2A 4434/4885MEN1 1092/4885

“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.