SCHEMBL3090844

SCHEMBL3090844

CC(C)(C)OC(=O)NCc1cccc2cc(S(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
KDM4A O75164 1/20 0.46
ACACB O00763 1/20 0.45
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CA2 P00918 3/20 0.42
CA1 P00915 3/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KCNA5 P22460 1/20 0.40
KAT6A Q92794 1/20 0.40
CYP2C9 P11712 1/20 0.40
NAMPT P43490 1/20 0.40
GHSR Q92847 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 1/20 0.38
NPC1 O15118 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
SCHEMBL3088528 0.84 NQO2 (0.51) NQO2CA2CYP2C9NAMPTMEN1
SCHEMBL3092580 0.82 CA2 (0.50) CA2CA1CA12CYP2C9NAMPT
SCHEMBL3092274 0.81 CA2 (0.46) NQO2CA2CA1CA12CYP2C9
SCHEMBL3089452 0.80 HTR2C (0.38) NQO2
SCHEMBL3080740 0.80 CA2 (0.44) NQO2CTSSCA2CA1CYP2C9
SCHEMBL14344711 0.80 CA2 (0.48) CA2CA1CA12CA7CYP2C9
SCHEMBL3097281 0.79 HTR6 (0.43) NQO2CA2CA1CA12MAPT
SCHEMBL3086379 0.78 CA2 (0.49) NQO2CA2CA1CA12CYP2C9
SCHEMBL3092172 0.77 NQO2 (0.48) NQO2CA2CA1CA12MEN1
SCHEMBL7356338 0.76 NQO2 (0.58) NQO2KDM4AACACBCTSSCTSK

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 4 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
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
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 NQO2 22/4885KDM4A 1619/4885ACACB 2971/4885

“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.