SCHEMBL3080743

SCHEMBL3080743

CNCC(=O)NC(c1cccc2ccccc12)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
METAP2 P50579 2/20 0.37
METAP1 P53582 2/20 0.37
PTGER4 P35408 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3088526 0.83 ALDH1A1 (0.45) ALDH1A1EPHX2LMNAGAA
SCHEMBL3092574 0.83 ALDH1A1 (0.58) ALDH1A1EPHX2METAP2METAP1CYP2C9
SCHEMBL3092143 0.83 SLC6A4 (0.39) SLC6A4ALDH1A1EPHX2PTGER4CYP2C9
SCHEMBL3906063 0.81 ALDH1A1 (0.41) SLC6A4ALDH1A1EPHX2CA1CA2
SCHEMBL3092268 0.81 ALDH1A1 (0.45) SLC6A4ALDH1A1EPHX2CYP2C9LMNA
SCHEMBL3097296 0.80 RECQL (0.44) SLC6A4ALDH1A1CYP2C9CYP2C19
SCHEMBL3086378 0.79 ALDH1A1 (0.49) ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL3090850 0.77 CTSS (0.46) ALDH1A1CA1GAA
SCHEMBL3084525 0.76 CACNA1H (0.47) EPHX2
SCHEMBL3097860 0.75 ATM (0.43) ALDH1A1CYP2C9HPGDCYP2C19GAA

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 9 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
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-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

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 SLC6A4 25/4885ALDH1A1 737/4885EPHX2 2506/4885
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ARSA, AR, SULT2A1 SLC6A4 2108/4885ALDH1A1 312/4885EPHX2 3019/4885

“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.