SCHEMBL6580093

SCHEMBL6580093

O=S(=O)(NS(=O)(=O)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
F2 P00734 2/20 0.59
PRSS1 P07477 2/20 0.59
PRSS2 P07478 2/20 0.59
PRSS3 P35030 2/20 0.59
HCRTR1 O43613 1/20 0.57
SCN1A P35498 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN3A Q9NY46 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 1/20 0.54
PGR P06401 1/20 0.54

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
SCHEMBL8801584 0.91 RECQL (0.57) CA1CA2CA9F2PRSS1
SCHEMBL11479510 0.88 F2 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL30442076 0.83 CA2 (0.62) CA1CA2CA9F2PRSS1
SCHEMBL10994471 0.83 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL3698223 0.83 HCRTR1 (0.58) CA1CA2CA9F2PRSS1
SCHEMBL8224014 0.83 F2 (0.60) CA1CA2CA9F2PRSS1
SCHEMBL2371351 0.83 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL419323 0.83 CA2 (0.62) CA1CA2CA9F2PRSS1
SCHEMBL11334125 0.82 HTR6 (0.51) CA1CA2CA9F2PRSS1
SCHEMBL3577992 0.80 NSD2 (0.65) CA1CA2CA9F2PRSS1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257539-B1 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-12-29 EP claimed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US claimed
US-6531478-B2 For therapy of eating disorder, obesity, bulimia nervosa, diabetes, binge eating, anorexia nervosa, dyslipidimia, hypertension, memory loss, epileptic seizures, migraine, sleep disturbances, pain, sexual/reproductive disorders KORDIK CHERYL P (US) 2003-03-11 US claimed
EP-1257539-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-11-20 EP claimed
US-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders KORDIK CHERYL P (US) 2002-05-30 US claimed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US claimed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US claimed
WO-2001062737-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-08-30 WO claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed
US-11711934-B2 Metal amides for use as HIL for an organic light-emitting diode (OLED) NOVALED GMBH (DE) 2023-07-25 US disclosed
EP-4084108-A1 METAL AMIDES FOR USE AS HIL FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) Novaled GmbH (DE) 2022-11-02 EP disclosed
EP-3338313-B1 METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) NOVALED GMBH (DE) 2022-01-05 EP disclosed
EP-3338314-B1 TRIARYL AMINE THICK LAYER DOPED WITH METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) NOVALED GMBH (DE) 2020-02-12 EP disclosed
EP-3133664-A1 TRIARYL AMINE THICK LAYER DOPED WITH METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) Novaled GmbH (DE) 2017-02-22 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 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 (2 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-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders NPY5R, NPY1R, NPY4R CA1 4750/4885CA2 4173/4885CA9 4329/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 CA1 2080/4885CA2 2597/4885CA9 1517/4885

“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.