SCHEMBL5379409

SCHEMBL5379409

COc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
TAS2R14 Q9NYV8 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
F2 P00734 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2A P28223 4/20 0.44
HTR2C P28335 4/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
HTR7 P34969 2/20 0.43
FFAR1 O14842 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
PGR P06401 1/20 0.40

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
SCHEMBL5371501 0.87 TSHR (0.63) TSHRMAPK1ALDH1A1HTR2AHTR2C
SCHEMBL31023685 0.80 TDP1 (0.44) NFE2L2
SCHEMBL29181745 0.79 HTR2A (0.68) ALDH1A1KMT2AHTR2AHTR2CGAA
SCHEMBL5371676 0.78 STS (0.56) ALDH1A1KMT2A
SCHEMBL6151103 0.77 TSHR (0.43) TSHRMAPK1TAS2R14ALDH1A1HTR2A
Hydrochloric Acid SCHEMBL16825676 0.76 SLC6A4 (0.43) HTR2AHTR2C
SCHEMBL3557754 0.75 SLC6A2 (0.56) TSHRALDH1A1MAPTKMT2AHTR2A
SCHEMBL5370266 0.75 TSHR (0.42) TSHRMAPK1TAS2R14ALDH1A1MAPT
SCHEMBL5372217 0.75 TSHR (0.41) TSHRMAPK1TAS2R14ALDH1A1MAPT
SCHEMBL3561054 0.74 HTR2C (0.46) TSHRMAPK1ALDH1A1KMT2AHTR2A

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 2005/4885TAS2R14 3941/4885

“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.