SCHEMBL5007599

SCHEMBL5007599

COC(C)=NS(=O)(=O)c1cccc(C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.39
PRSS1 P07477 7/20 0.39
PRSS2 P07478 7/20 0.39
PRSS3 P35030 7/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KAT7 O95251 1/20 0.34
KAT6B Q8WYB5 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL5007593 1.00 F2 (0.39) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL5007590 0.90 F2 (0.40) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL5009630 0.83 CYP1A2 (0.36) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL5009632 0.83 CYP1A2 (0.36) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL13994264 0.81 SLC22A12 (0.34) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL2428796 0.81 CYP1A2 (0.40) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL14529091 0.79 F2 (0.43) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL13994242 0.77 CYP3A4 (0.38) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL13994230 0.76 LMNA (0.38) CYP1A2CYP2C19KMT2ALMNACYP3A4
SCHEMBL5012802 0.76 LMNA (0.38) CYP1A2CYP2C19KMT2ALMNACYP3A4

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-20210280887-A1 SYSTEM AND METHOD FOR ELECTROCHEMICAL ENERGY CONVERSION AND STORAGE COLORADO SCHOOL OF MINES 2021-09-09 US disclosed
US-20180053957-A1 SYSTEM AND METHOD FOR ELECTROCHEMICAL ENERGY CONVERSION AND STORAGE COLORADO SCHOOL OF MINES 2018-02-22 US disclosed
CN-105246962-A Metal nanowire-containing composition SEIKO PMC CORP 2016-01-13 CN disclosed
CN-101463193-A Dye composition for lens PRODISC TECHNOLOGY INC (CN) 2009-06-24 CN disclosed
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 US disclosed
US-20080241092-A1 Administering a potassium-binding polymer of a crosslinked ion exchange polymer having acid groups and an alpha/beta electronegative group in a bead form as an oral dosage; renal insufficiency; congestive heart failure; hyperkalemia; high preferential binding capaciity; stability; nonabsorbent; nontoxic RELYPSA, INC. (US) 2008-10-02 US disclosed
US-20080241093-A1 A potassium-binding polymer of a crosslinked ion exchange polymer having acid groups and an alpha/beta electronegative group in a bead form as an oral dosage; renal insufficiency; congestive heart failure; hyperkalemia; high preferential binding capaciity; stability; nonabsorbent; nontoxic RELYPSA, INC. (US) 2008-10-02 US disclosed
US-20080233073-A1 Administering potassium binding polymer of alpha-fluoroacrylic acid comprising counterion of calcium crosslinked with divinylbenzene, (m)ethylenebisacrylamide, N,N'-bis(vinylsulfonylacetyl) ethylene diamine, 1,3-bis(vinylsulfonyl) 2-propanol, vinylsulfone, polyvinyl ether, polyallylether; hyperkalemia RELYPSA, INC. (US) 2008-09-25 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 (4 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-20080233073-A1 Administering potassium binding polymer of alpha-fluoroacrylic acid comprising counterion of calcium crosslinked with divinylbenzene, (m)ethylenebisacrylamide, N,N'-bis(vinylsulfonylacetyl) ethylene diamine, 1,3-bis(vinylsulfonyl) 2-propanol, vinylsulfone, polyvinyl ether, polyallylether; hyperkalemia KCNH3, KCNAB1, KCNMB1 F2 282/4885PRSS1 565/4885PRSS2 1109/4885
US-20080241092-A1 Administering a potassium-binding polymer of a crosslinked ion exchange polymer having acid groups and an alpha/beta electronegative group in a bead form as an oral dosage; renal insufficiency; congestive heart failure; hyperkalemia; high preferential binding capaciity; stability; nonabsorbent; nontoxic KCNN3, ATP6V1B1, KCNK3 F2 681/4885PRSS1 4709/4885PRSS2 4432/4885
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests NR0B1, NR0B2, CBR1 F2 2529/4885PRSS1 3726/4885PRSS2 2884/4885
US-20080241093-A1 A potassium-binding polymer of a crosslinked ion exchange polymer having acid groups and an alpha/beta electronegative group in a bead form as an oral dosage; renal insufficiency; congestive heart failure; hyperkalemia; high preferential binding capaciity; stability; nonabsorbent; nontoxic KCNN3, KCNK3, KCNK9 F2 601/4885PRSS1 4720/4885PRSS2 4462/4885

“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.