SCHEMBL3097276

SCHEMBL3097276

NCC(c1cccc2ccccc12)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
RECQL P46063 1/20 0.41
ACP3 P15309 3/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11541750 0.81 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL9055052 0.79 HTR6 (0.39) ALDH1A1HTR6MEN1MAPTKMT2A
SCHEMBL3097296 0.72 RECQL (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2RECQL
SCHEMBL3086378 0.72 ALDH1A1 (0.49) ALDH1A1CYP2C9CYP2C19CYP1A2RECQL
SCHEMBL3092574 0.71 ALDH1A1 (0.58) ALDH1A1CYP2C9CYP2C19CYP1A2RECQL
SCHEMBL3092165 0.70 KEAP1 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2RECQL
SCHEMBL613009 0.69 SLC6A4 (0.58) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL22614679 0.69 ROCK2 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL31344396 0.69 ROCK2 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL4779691 0.69 ROCK2 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3

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 8 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 claimed
EP-2041079-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-04-01 EP claimed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO claimed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 US claimed
US-7799797-B2 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
EP-2041079-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-04-01 EP disclosed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE 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 (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-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ARSA, AR, SULT2A1 ALDH1A1 312/4885CYP2C9 58/4885CYP2C19 94/4885

“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.