SCHEMBL3092152

SCHEMBL3092152

CNC(=O)CNCc1cccc2cc(S(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR6 P50406 1/20 0.41
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
MMP14 P50281 2/20 0.39
MMP16 P51512 2/20 0.39

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
SCHEMBL3958854 0.86 LMNA (0.48) KMT2AMEN1ALDH1A1HTR6CA2
SCHEMBL3080740 0.84 CA2 (0.44) KMT2AMEN1HTR6CA2CA1
SCHEMBL3097866 0.84 GAA (0.45) L3MBTL1KMT2AMEN1ALDH1A1CA2
SCHEMBL3097281 0.83 HTR6 (0.43) L3MBTL1ALDH1A1HTR6CA2CA12
SCHEMBL3088528 0.81 NQO2 (0.51) KMT2AMEN1CA2NQO2MTNR1B
SCHEMBL27747920 0.79 CA2 (0.42) KMT2AMEN1ALDH1A1HTR6CA2
SCHEMBL14344711 0.79 CA2 (0.48) KMT2AMEN1HTR6CA2CA12
SCHEMBL3092580 0.79 CA2 (0.50) KMT2AMEN1HTR6CA2CA12
SCHEMBL3092172 0.78 NQO2 (0.48) KMT2AMEN1ALDH1A1HTR6CA2
SCHEMBL3092274 0.78 CA2 (0.46) KMT2AMEN1CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799797-B2 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
US-7799797-B2 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
US-7799797-B2 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
EP-2076489-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
CN-101472885-A Arylsulfonyl naphthalene derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-07-01 CN disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
EP-2041079-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-04-01 EP disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 US disclosed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 US disclosed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 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 (2 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-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof HTR6, TPH1, HTR1B L3MBTL1 3847/4885KMT2A 3200/4885MEN1 657/4885
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ARSA, AR, SULT2A1 L3MBTL1 4516/4885KMT2A 879/4885MEN1 470/4885

“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.