SCHEMBL3084526

SCHEMBL3084526

CN(CC(=O)NCc1cccc2cc(S(=O)(=O)c3ccccc3)ccc12)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.49
TPSAB1 Q15661 1/20 0.49
CACNA1H O95180 4/20 0.45
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER1 P34995 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL3902269 0.89 PRSS1 (0.46) PRSS1TPSAB1CACNA1HCA2SMN1; SMN2
SCHEMBL3080740 0.78 CA2 (0.44) CA2SMN1; SMN2KMT2ACYP2C9HPGD
SCHEMBL14344711 0.78 CA2 (0.48) CA2KMT2ACYP2C9
SCHEMBL3088528 0.78 NQO2 (0.51) CA2KMT2ACYP2C9MTNR1AMTNR1B
SCHEMBL3092580 0.75 CA2 (0.50) CA2KMT2ACYP2C9MTNR1A
SCHEMBL3092274 0.74 CA2 (0.46) CA2KMT2ACYP2C9MTNR1AMTNR1B
SCHEMBL3090844 0.74 NQO2 (0.47) CA2KMT2ACYP2C9MTNR1AMTNR1B
SCHEMBL3097281 0.73 HTR6 (0.43) CA2SMN1; SMN2ALDH1A1
SCHEMBL3086379 0.72 CA2 (0.49) CA2KMT2ACYP2C9MTNR1AMTNR1B
SCHEMBL3089452 0.72 HTR2C (0.38) TDP1CYP1A2CYP2C19

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
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
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 PRSS1 388/4885TPSAB1 742/4885CACNA1H 2970/4885

“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.