SCHEMBL3972067

SCHEMBL3972067

CC(C)c1ccc(C(=O)N(C(=N)N)C(=O)c2ccc(C(C)C)c(S(C)(=O)=O)c2)cc1S(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.60
SLC9A2 Q9UBY0 1/20 0.60
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
F10 P00742 2/20 0.34
CNR2 P34972 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL3973208 0.83 SLC9A1 (0.54) SLC9A1SLC9A2HSP90AA1HSP90AB1F10
SCHEMBL18929891 0.81 SLC9A1 (0.71) SLC9A1SLC9A2CNR2
SCHEMBL8582480 0.79 SLC9A1 (0.47) SLC9A1SLC9A2HSP90AA1HSP90AB1F10
Cariporide SCHEMBL39639 0.78 SLC9A1 (0.61) SLC9A1SLC9A2F10CNR2PRSS1
Guanidine SCHEMBL6134569 0.77 SLC9A1 (0.59) SLC9A1SLC9A2CNR2PRSS1
Cariporide SCHEMBL6261845 0.77 SLC9A1 (0.63) SLC9A1SLC9A2F10CNR2PRSS1
Cariporide SCHEMBL221094 0.77 SLC9A1 (0.63) SLC9A1SLC9A2F10CNR2PRSS1
Cariporide SCHEMBL220085 0.77 SLC9A1 (0.60) SLC9A1SLC9A2F10CNR2PRSS1
Cariporide SCHEMBL1229789 0.77 SLC9A1 (0.60) SLC9A1SLC9A2F10CNR2PRSS1
SCHEMBL3968070 0.76 SLC9A1 (0.64) SLC9A1SLC9A2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7082234-A None JP disclosed
EP-0921117-B2 Acylguanidines SANOFI AVENTIS DEUTSCHLAND (DE) 2009-01-07 EP disclosed
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them HOECHST AKTIENGESELLSCHAFT 2004-03-04 US disclosed
EP-0921117-B1 Acylguanidines AVENTIS PHARMA GMBH (DE) 2003-12-10 EP disclosed
US-6632840-B1 Inhibiting the Na+/H+ exchanger, treating at least one of arrhythmias and shock HOECHST AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
US-6436999-B1 REACTING GUANIDINE AND CARBOCYCLIC ACIDS, TO FORM COMPOUNDS LIKE BIS(3-METHYLSULFONYL-4-I-PROPYLBENZOYL)GUANIDINE, USED FOR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS AND AS PRODRUGS FOR SODIUM CHANNEL MODULATORS TO CONTROL BLOOD PRESSURE HOECHST AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
EP-0640587-B1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AG (DE) 1999-12-29 EP disclosed
EP-0921117-A2 Acylguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
JP-H0782234-A DIACYL-SUBSTITUTED GUANIDINE, PREPARATION THEREOF, ITS USE AS DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING IT HOECHST AG 1995-03-28 JP disclosed
EP-0640587-A1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP 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-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them ADRA1B, ADRA1A, HYOU1 SLC9A1 37/4885SLC9A2 112/4885HSP90AA1 399/4885

“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.