SCHEMBL3098069

SCHEMBL3098069

CCOC(=O)/C=C/c1cccc2cc(S(=O)(=O)c3cccc(F)c3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL3098078 1.00 CYP3A4 (0.42) CYP3A4HSD17B1HSD17B2CYP1A2CYP2D6
SCHEMBL3081052 0.77 CYP4F2 (0.43) PKMGAAALDH1A1HCRTR2ABCC9
SCHEMBL3098278 0.76 HTR2A (0.44) ABCC9ABCC8KCNJ11KCNJ8HTR6
SCHEMBL2690695 0.76 HDAC8 (0.55) CYP3A4CYP1A2CYP2D6MAPTMEN1
SCHEMBL2690696 0.76 HDAC8 (0.55) CYP3A4CYP1A2CYP2D6MAPTMEN1
SCHEMBL13180444 0.76 HTR2A (0.41) ABCC9ABCC8KCNJ11KCNJ8HTR6
SCHEMBL24876 0.71 MEN1 (0.65) CYP3A4GAAMAPTMEN1ALDH1A1
SCHEMBL24877 0.71 MEN1 (0.65) CYP3A4GAAMAPTMEN1ALDH1A1
SCHEMBL6854797 0.71 CCNC (0.56) CYP3A4HSD17B1HSD17B2CYP1A2CYP2D6
SCHEMBL2325697 0.70 CYP3A4 (0.51) CYP3A4PKMIDO1TDO2MAPT

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 CYP3A4 150/4885HSD17B1 916/4885HSD17B2 946/4885

“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.