SCHEMBL3086378

SCHEMBL3086378

N=C(N)NC(c1cccc2ccccc12)S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
RECQL P46063 1/20 0.41
CYP2C9 P11712 2/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
CYP1A2 P05177 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP2C19 P33261 1/20 0.38
G6PD P11413 1/20 0.38
ACP3 P15309 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
SLC1A3 P43003 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
SCHEMBL3092574 0.90 ALDH1A1 (0.58) ALDH1A1RECQLCYP2C9CYP1A2CYP2C19
SCHEMBL3092268 0.87 ALDH1A1 (0.45) ALDH1A1RECQLCYP2C9HDAC3HDAC1
SCHEMBL3088526 0.84 ALDH1A1 (0.45) ALDH1A1RECQLG6PDKDM4EGAA
SCHEMBL3097296 0.81 RECQL (0.44) ALDH1A1RECQLCYP2C9CYP1A2CYP2C19
SCHEMBL3080743 0.79 SLC6A4 (0.41) ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL3092165 0.78 KEAP1 (0.44) ALDH1A1RECQLCYP2C9CYP1A2CYP2C19
SCHEMBL3090850 0.78 CTSS (0.46) ALDH1A1GAAKMT2AMEN1
SCHEMBL3092143 0.74 SLC6A4 (0.39) ALDH1A1RECQLCYP2C9CYP2C19ACP3
SCHEMBL27747922 0.74 LMNA (0.47) ALDH1A1GAAKMT2AMEN1
SCHEMBL27182922 0.73 ALDH1A1 (0.57) ALDH1A1CYP2C9PRSS1CYP1A2HDAC3

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-7799797-B2 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
CN-101472885-A Arylsulfonyl naphthalene derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-07-01 CN 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 312/4885RECQL 15/4885CYP2C9 58/4885

“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.