SCHEMBL3096948

SCHEMBL3096948

CC(=O)NCc1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.49
NQO2 P16083 4/20 0.48
MTNR1A P48039 5/20 0.45
MTNR1B P49286 4/20 0.45
CASP6 P55212 1/20 0.43
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
NAMPT P43490 3/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL3088528 0.89 NQO2 (0.51) NQO2MTNR1AMTNR1BCASP6NAMPT
SCHEMBL3086603 0.89 MTNR1A (0.60) HTR6NQO2MTNR1AMTNR1B
SCHEMBL3103565 0.88 HTR6 (0.49) HTR6MTNR1AABCC9ABCC8KCNJ11
SCHEMBL3094292 0.87 MTNR1A (0.52) HTR6NQO2MTNR1AMTNR1B
SCHEMBL13147903 0.82 CA2 (0.40) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3100791 0.82 MTNR1A (0.56) HTR6NQO2MTNR1AMTNR1B
SCHEMBL3093522 0.80 MTNR1A (0.48) HTR6NQO2MTNR1AMTNR1BABCC9
SCHEMBL3086452 0.79 HTR6 (0.45) HTR6
SCHEMBL3090799 0.79 PTGDR2 (0.42) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3092274 0.79 CA2 (0.46) NQO2MTNR1AMTNR1BCASP6NAMPT

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 12 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
CN-101472885-A Arylsulfonyl naphthalene derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-07-01 CN 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
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
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 HTR6 427/4885NQO2 22/4885MTNR1A 11/4885

“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.