SCHEMBL4094978

SCHEMBL4094978

O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC1c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP2C19 P33261 1/20 0.57
AKR1C3 P42330 5/20 0.54
AKR1C1 Q04828 2/20 0.54
HSD11B1 P28845 1/20 0.53
MAPT P10636 1/20 0.53
CNR1 P21554 1/20 0.52
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL1712636 0.98 LMNA (0.67) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL1713470 0.92 MAPT (0.66) LMNASMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL1713497 0.90 MAPT (0.64) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL1712872 0.90 AKR1C3 (0.55) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL1713376 0.88 LMNA (0.55) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL7829590 0.87 ALDH1A1 (0.52) LMNASMN1; SMN2ALDH1A1CYP2C19AKR1C3
SCHEMBL1713030 0.86 CNR1 (0.56) LMNASMN1; SMN2HTTALDH1A1HPGD
SCHEMBL7832350 0.85 ALDH1A1 (0.53) LMNASMN1; SMN2ALDH1A1CYP2C19AKR1C3
SCHEMBL1722857 0.85 CNR1 (0.56) LMNASMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1712578 0.83 POLB (0.54) LMNASMN1; SMN2TSHRHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691846-B2 Piperidine sulphonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2014-04-08 US disclosed
US-8691846-B2 Piperidine sulphonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2014-04-08 US disclosed
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 US disclosed
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 US disclosed
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 US disclosed
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES KNUST HENNER (DE) 2012-09-20 US disclosed
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES KNUST HENNER (DE) 2012-09-20 US disclosed
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES KNUST HENNER (DE) 2012-09-20 US disclosed
US-8202888-B2 Piperidine sulphonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-8202888-B2 Piperidine sulphonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-8202888-B2 Piperidine sulphonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
EP-2252587-B1 PIPERIDINE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
WO-2009100994-A1 PIPERIDINE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO disclosed
US-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
US-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
US-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 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 (3 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-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 LMNA 3629/4885SMN1; SMN2 514/4885TSHR 733/4885
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 LMNA 3629/4885SMN1; SMN2 514/4885TSHR 733/4885
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 LMNA 3629/4885SMN1; SMN2 514/4885TSHR 733/4885

“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.