SCHEMBL5371676

SCHEMBL5371676

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GPR119 Q8TDV5 6/20 0.52
ALDH1A1 P00352 1/20 0.50
MMP13 P45452 4/20 0.49
MMP1 P03956 4/20 0.49
MMP3 P08254 4/20 0.49
MMP7 P09237 4/20 0.49
MMP9 P14780 4/20 0.49
MMP8 P22894 3/20 0.49
MMP2 P08253 2/20 0.49
BMP1 P13497 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL31023770 0.84 MEN1 (0.61) STSMEN1KMT2AGPR119ALDH1A1
SCHEMBL13932919 0.84 CACNA1B (0.50) STSMEN1KMT2AGPR119ALDH1A1
SCHEMBL18129164 0.83 MEN1 (0.62) MEN1KMT2AGPR119MMP13
SCHEMBL3555527 0.80 STS (0.60) STSGPR119ALDH1A1MMP13MMP1
SCHEMBL5379409 0.78 TSHR (0.54) KMT2AALDH1A1
SCHEMBL25389387 0.77 MEN1 (0.68) MEN1KMT2AGPR119MMP13
SCHEMBL15771622 0.77 GPR119 (0.55) STSMEN1KMT2AGPR119
SCHEMBL7662750 0.76 LIMK2 (0.53) STSMEN1KMT2AGPR119MMP13
SCHEMBL16422601 0.76 MEN1 (0.67) MEN1KMT2AGPR119MMP13
SCHEMBL6151103 0.76 TSHR (0.43) ALDH1A1

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 STS 2662/4885MEN1 4843/4885KMT2A 458/4885

“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.