Sugi Predict

Sugi Predict / Compounds / SCHEMBL3089452

SCHEMBL3089452

SCHEMBL3089452

CN(Cc1cccc2cc(S(=O)(=O)c3ccccc3)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NR1D1 P20393 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MMP13 P45452 2/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ SFRP1 Q8N474 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35

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
SCHEMBL13147952 0.81 CYP1A2 (0.44) SLC6A4L3MBTL1HTR6SFRP1CYP1A2
SCHEMBL3090844 0.80 NQO2 (0.47) NQO2
SCHEMBL8017533 0.74 HTR2C (0.47) HTR2CSLC6A4L3MBTL1GLS
SCHEMBL27747941 0.74 MMP9 (0.36) L3MBTL1MMP13PTGDR2CYP1A2CYP2D6
SCHEMBL3088528 0.72 NQO2 (0.51) NQO2
SCHEMBL3084526 0.72 PRSS1 (0.49) TDP1CYP1A2CYP2C19
SCHEMBL3080680 0.72 HTR6 (0.49) HTR6
SCHEMBL3097281 0.71 HTR6 (0.43) L3MBTL1HTR6NQO2PTGDR2SFRP1
SCHEMBL3093726 0.70 BCAT1 (0.37) SLC6A4L3MBTL1TDP1HTR6PTGDR2
SCHEMBL3093735 0.70 BCAT1 (0.37) SLC6A4L3MBTL1TDP1HTR6PTGDR2

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 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
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 HTR2C 226/4885SLC6A4 2108/4885L3MBTL1 4516/4885

“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.