SCHEMBL3086429

SCHEMBL3086429

N#Cc1cccc2cc(S(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTR6 P50406 9/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FEN1 P39748 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 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
SCHEMBL13147933 0.87 HTR6 (0.47) HTR6
SCHEMBL23909547 0.81 LMNA (0.51) CA1CA2ALDH1A1LMNAHTT
SCHEMBL8492756 0.81 CASP6 (0.51) CA1CA2ALDH1A1KDM4EHTT
SCHEMBL23909520 0.81 HTT (0.42) CA1CA2ALDH1A1HTTMAPT
SCHEMBL15010735 0.80 CYP2C9 (0.51) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL11121243 0.77 HTR6 (0.52) HTR6ALDH1A1LMNAHPGDKDM4E
SCHEMBL4194000 0.73 ACLY (0.51) HTR6ALDH1A1LMNAHPGDKDM4E
SCHEMBL591137 0.73 ALDH1A1 (0.51) HTR6ALDH1A1LMNAHPGDKDM4E
SCHEMBL3080680 0.73 HTR6 (0.49) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3934050 0.73 HTR6 (0.61) CA1CA2HTR6ALDH1A1LMNA

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 10 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
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
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
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 (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 CA1 4461/4885CA2 4084/4885HTR6 427/4885

“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.