Sugi Predict

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SCHEMBL3081052

SCHEMBL3081052

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ CDYL Q9Y232 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 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
▸ PKM P14618 1/20 0.37
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ LMNA P02545 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
SCHEMBL3090799 0.84 PTGDR2 (0.42) PTGDR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3094217 0.83 MTNR1A (0.47) PTGDR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL27769166 0.79 MEN1 (0.45) ALDH1A1PTGDR2ABCC9ABCC8KCNJ11
SCHEMBL3086603 0.78 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL3079742 0.78 HTR6 (0.44) —
SCHEMBL27769159 0.78 HTR2C (0.41) PTGDR2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3098069 0.77 CYP3A4 (0.42) GAAALDH1A1HCRTR2ABCC9ABCC8
SCHEMBL3094292 0.77 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL3098078 0.77 CYP3A4 (0.42) GAAALDH1A1HCRTR2ABCC9ABCC8
SCHEMBL13180443 0.76 HTR2A (0.40) PTGDR2ABCC9ABCC8KCNJ11KCNJ8

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 8 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
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 CYP4F2 1018/4885CYP4A11 425/4885CDYL 2254/4885

“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.