SCHEMBL3090799

SCHEMBL3090799

O=C(O)CCc1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
HTR2A P28223 1/20 0.39
HTR6 P50406 3/20 0.38
PARP1 P09874 1/20 0.38
FFAR1 O14842 1/20 0.38
KCNH2 Q12809 1/20 0.37
PTGDR Q13258 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
SCHEMBL27769166 0.92 MEN1 (0.45) PTGDR2MEN1KMT2AABCC9ABCC8
SCHEMBL3094217 0.89 MTNR1A (0.47) PTGDR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3081052 0.84 CYP4F2 (0.43) PTGDR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3079742 0.84 HTR6 (0.44) HTR2CHTR2BHTR2AHTR6KCNH2
SCHEMBL27769159 0.84 HTR2C (0.41) PTGDR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL13180443 0.81 HTR2A (0.40) PTGDR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3086048 0.81 HTR6 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL3086603 0.81 MTNR1A (0.60) HTR2CHTR2BHTR6
SCHEMBL3100791 0.81 MTNR1A (0.56) HTR6
SCHEMBL3086452 0.81 HTR6 (0.45) HTR2CHTR2BHTR2AHTR6KCNH2

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 PTGDR2 878/4885MEN1 470/4885KMT2A 879/4885

“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.