SCHEMBL3577992

SCHEMBL3577992

CC(C)(C)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.65
HCRTR1 O43613 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
F2 P00734 2/20 0.53
PRSS1 P07477 2/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
KDM4E B2RXH2 2/20 0.49
EDNRB P24530 2/20 0.49
EDNRA P25101 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL7770275 0.84 RORA (0.54) NSD2HCRTR1CA1CA2CA9
SCHEMBL2803354 0.82 NSD2 (0.58) NSD2KDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL15878390 0.82 F2 (0.54) NSD2HCRTR1CA1CA2CA9
SCHEMBL3698223 0.81 HCRTR1 (0.58) HCRTR1CA1CA2CA9F2
SCHEMBL5000637 0.80 PRKD3 (0.63) NSD2KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6580093 0.80 CA1 (0.61) HCRTR1CA1CA2CA9F2
SCHEMBL13483650 0.80 NSD2 (0.68) NSD2KDM4EALDH1A1CYP1A2MEN1
SCHEMBL21878809 0.79 NSD2 (1.00) NSD2EDNRA
SCHEMBL29968659 0.79 NSD2 (1.00) NSD2EDNRA
SCHEMBL10994471 0.77 CA1 (0.57) HCRTR1CA1CA2CA9F2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102472966-A Negative photosensitive resin composition, polyimide resin film using same, and flexible printed circuit board SUMITOMO ELECTRIC INDUSTRIES 2012-05-23 CN disclosed
US-20120118616-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, POLYIMIDE RESIN FILM USING SAME, AND FLEXIBLE PRINTED CIRCUIT BOARD SUMITOMO ELECTRIC PRINTED CIRCUITS, INC. (JP) 2012-05-17 US disclosed
US-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
CN-101189230-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2008-05-28 CN disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 US disclosed
US-7026475-B2 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-04-11 US disclosed
US-20040122003-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-06-24 US disclosed
US-20040116412-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-06-17 US disclosed
EP-1404340-A1 NAPHTOTHIAZINE POSITIVE ALLOSTERIC AMPA RECEPTOR MODULATORS (PAARM) Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
US-20030100552-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-05-29 US disclosed
WO-2002100411-A1 NAPHTOTHIAZINE POSITIVE ALLOSTERIC AMPA RECEPTOR MODULATORS (PAARM) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-12-19 WO 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 (3 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E NSD2 161/4885HCRTR1 2623/4885CA1 4732/4885
US-20030100552-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions GRM1, GRM2, GRIN1 NSD2 2510/4885HCRTR1 1016/4885CA1 2480/4885
US-20040122003-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions GRM1, GRM2, GRIN1 NSD2 2510/4885HCRTR1 1016/4885CA1 2480/4885

“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.