SCHEMBL301013

SCHEMBL301013

CCCCCS(=O)(=O)NS(=O)(=O)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.50
CA2 P00918 3/20 0.44
RELA Q04206 4/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL10226704 0.97 FAAH (0.54) FAAHCA2RELAKDM4EHPGD
SCHEMBL6501307 0.97 FAAH (0.54) FAAHCA2RELAKDM4EHPGD
SCHEMBL15958664 0.95 FAAH (0.46) FAAHCA2RELACA12CA1
SCHEMBL14932179 0.93 FAAH (0.50) FAAHCA2RELAKDM4EHPGD
SCHEMBL239451 0.92 HPGD (0.44) FAAHCA2RELACA12CA1
SCHEMBL13145951 0.87 FAAH (0.44) FAAHCA2RELAKDM4EHPGD
SCHEMBL15177331 0.86 HPGD (0.41) FAAHCA2RELACA12CA1
SCHEMBL12386317 0.85 FAAH (0.48) FAAHCA2RELAKDM4EHPGD
SCHEMBL3030769 0.85 FAAH (0.48) FAAHCA2RELAKDM4EHPGD
SCHEMBL9325375 0.85 FAAH (0.43) FAAHCA2RELAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11298649-B2 Systems and methods incorporating ionic liquids for electrochemically mediated capturing of Lewis acid gases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-04-12 US claimed
US-20210292196-A1 REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-09-23 US claimed
US-20210206791-A1 SELECTIVE METAL-MEDIATED ARYLATION OF DICHALCOGENIDES IN BIOMOLECULES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-07-08 US claimed
US-11045833-B2 Task specific ionic liquid-impregnated polymeric surface coatings for antibacterial, antifouling, and metal scavenging activity MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-29 US claimed
US-20200291052-A1 BIS-PHENANTHROLINE IRON MACROCYCLE COMPLEX FOR OXYGEN REDUCTION REACTION UNITED STATES DEPARTMENT OF ENERGY 2020-09-17 US claimed
WO-2020186264-A1 BIS-PHENANTHROLINE IRON MACROCYCLE COMPLEX FOR OXYGEN REDUCTION REACTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-17 WO claimed
US-20190327964-A1 SILVER- AND COPPER-CHELATING IONIC LIQUIDS, POLYMERS, AND GELS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-10-31 US claimed
US-20190291043-A1 SYSTEMS AND METHODS INCORPORATING IONIC LIQUIDS FOR ELECTROCHEMICALLY MEDIATED CAPTURING OF LEWIS ACID GASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-09-26 US claimed
EP-3500530-A1 REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY Massachusetts Institute Of Technology (US) 2019-06-26 EP claimed
US-20190189364-A1 HIGH-TEMPERATURE SUPERCAPACITORS CONTAINING SURFACE ACTIVE IONIC LIQUIDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-06-20 US claimed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO claimed
US-6492403-B1 TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-12-10 US claimed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US claimed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP 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-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed
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 claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 FAAH 1167/4885CA2 820/4885RELA 283/4885
US-20190291043-A1 SYSTEMS AND METHODS INCORPORATING IONIC LIQUIDS FOR ELECTROCHEMICALLY MEDIATED CAPTURING OF LEWIS ACID GASES CA13, CA1, CA12 FAAH 1551/4885CA2 6/4885RELA 3275/4885
US-11045833-B2 Task specific ionic liquid-impregnated polymeric surface coatings for antibacterial, antifouling, and metal scavenging activity LPO, SOD1, ICMT FAAH 2662/4885CA2 2948/4885RELA 2685/4885
US-20200291052-A1 BIS-PHENANTHROLINE IRON MACROCYCLE COMPLEX FOR OXYGEN REDUCTION REACTION CYC1, PPOX, MT-CO2 FAAH 4773/4885CA2 429/4885RELA 2491/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 FAAH 1983/4885CA2 2597/4885RELA 4783/4885
US-20210206791-A1 SELECTIVE METAL-MEDIATED ARYLATION OF DICHALCOGENIDES IN BIOMOLECULES SCLY, SELENOI, PTMS FAAH 4205/4885CA2 1118/4885RELA 4647/4885
US-20190327964-A1 SILVER- AND COPPER-CHELATING IONIC LIQUIDS, POLYMERS, AND GELS, AND USES THEREOF SOD1, AOC1, SOD3 FAAH 4332/4885CA2 2070/4885RELA 2189/4885
US-11298649-B2 Systems and methods incorporating ionic liquids for electrochemically mediated capturing of Lewis acid gases CA13, CA1, CA12 FAAH 1551/4885CA2 6/4885RELA 3275/4885

“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.