SCHEMBL16451619

SCHEMBL16451619

O=S(=O)(OCC(F)C(F)(F)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
PARL Q9H300 1/20 0.36
HSD11B1 P28845 3/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
PTPN1 P18031 1/20 0.33
NR1I2 O75469 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GCK P35557 1/20 0.32

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
SCHEMBL16451615 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL18771521 0.84 PARL (0.36) SMN1; SMN2PARLHSD11B1ALDH1A1TDP1
SCHEMBL16451616 0.77 CA1 (0.46) TSHRALDH1A1
SCHEMBL16447667 0.76 ALDH1A1 (0.53) TSHRALDH1A1TDP1KMT2AKDM4E
SCHEMBL16863993 0.76 TSHR (0.41) SMN1; SMN2TSHRPARLHSD11B1ALDH1A1
SCHEMBL12039700 0.74 TSHR (0.39) SMN1; SMN2TSHRPARLHSD11B1ALDH1A1
SCHEMBL18785289 0.73 CPA1 (0.42)
SCHEMBL16451618 0.73 KDM4E (0.32) TSHRALDH1A1KDM4E
SCHEMBL28099707 0.72 PSIP1 (0.42) SMN1; SMN2TSHRPARLHSD11B1ALDH1A1
SCHEMBL6366700 0.72 CA1 (0.36) SMN1; SMN2TSHRMAPTHTT

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 3 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

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 SMN1; SMN2 3716/4885TSHR 1317/4885PARL 243/4885

“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.