SCHEMBL3093522

SCHEMBL3093522

NC(=O)NCCCc1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.48
HTR6 P50406 5/20 0.46
MTNR1B P49286 4/20 0.41
NQO2 P16083 3/20 0.41
NAMPT P43490 2/20 0.38
NOTUM Q6P988 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38

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
SCHEMBL3100791 0.94 MTNR1A (0.56) MTNR1AHTR6MTNR1BNQO2NOTUM
SCHEMBL3094292 0.89 MTNR1A (0.52) MTNR1AHTR6MTNR1BNQO2
SCHEMBL3103565 0.89 HTR6 (0.49) MTNR1AHTR6NAMPTABCC9ABCC8
SCHEMBL3094217 0.83 MTNR1A (0.47) MTNR1AHTR6MTNR1BNQO2ABCC9
SCHEMBL3086048 0.83 HTR6 (0.42) HTR6
SCHEMBL3086603 0.83 MTNR1A (0.60) MTNR1AHTR6MTNR1BNQO2
SCHEMBL27769166 0.81 MEN1 (0.45) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3079742 0.81 HTR6 (0.44) HTR6
SCHEMBL3096948 0.80 HTR6 (0.49) MTNR1AHTR6MTNR1BNQO2NAMPT
SCHEMBL3090799 0.80 PTGDR2 (0.42) HTR6ABCC9ABCC8KCNJ11KCNJ8

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 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
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

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 MTNR1A 11/4885HTR6 427/4885MTNR1B 32/4885

“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.