SCHEMBL5370266

SCHEMBL5370266

COc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(C3CCOCC3=O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
HTR7 P34969 2/20 0.39
F2 P00734 1/20 0.38
HPGD P15428 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
RORC P51449 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
SCHEMBL5372217 0.86 TSHR (0.41) TSHRMAPK1ALDH1A1HTR2AHTR2C
SCHEMBL6151103 0.85 TSHR (0.43) TSHRMAPK1ALDH1A1HTR2AHTR2C
SCHEMBL5379409 0.75 TSHR (0.54) TSHRMAPK1ALDH1A1HTR2AHTR2C
SCHEMBL5371676 0.72 STS (0.56) ALDH1A1KMT2AMEN1
SCHEMBL7141686 0.67 CHRM2 (0.61) TSHRMAPK1ALDH1A1KMT2AMEN1
SCHEMBL5363537 0.66 TSHR (0.51) TSHRMAPK1ALDH1A1HTR2AHTR2C
SCHEMBL5363541 0.66 TSHR (0.51) TSHRMAPK1ALDH1A1HTR2AHTR2C
SCHEMBL8373495 0.64 HTR2A (0.53) ALDH1A1HTR2AHTR2CGAAL3MBTL1
SCHEMBL7166030 0.64 CHRM2 (0.57) TSHRMAPK1ALDH1A1KMT2AMEN1
SCHEMBL7165839 0.64 CHRM2 (0.57) TSHRMAPK1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176316-B2 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US disclosed
EP-1594840-B1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
EP-1594840-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004072034-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-26 WO disclosed
US-20040167166-A1 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. 2004-08-26 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-20040167166-A1 Amino-piperidine derivatives OPRL1, GRIA1, GRIN1 TSHR 4798/4885MAPK1 2005/4885ALDH1A1 1133/4885

“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.