SCHEMBL6719348

SCHEMBL6719348

Cc1cc(S(C)(=O)=O)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.57

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
SCHEMBL8542825 0.90 SLC9A1 (0.49) SLC9A1
SCHEMBL8536954 0.90 SLC9A1 (0.49) SLC9A1
SCHEMBL6938080 0.87 SLC9A1 (0.45) SLC9A1
SCHEMBL8542373 0.86 SLC9A1 (0.46) SLC9A1
SCHEMBL8538271 0.86 SLC9A1 (0.46) SLC9A1
SCHEMBL6938136 0.85 SLC9A1 (0.44) SLC9A1
SCHEMBL8538210 0.84 SLC9A1 (0.44) SLC9A1
SCHEMBL8538235 0.84 SLC9A1 (0.44) SLC9A1
SCHEMBL8539813 0.84 SLC9A1 (0.44) SLC9A1
SCHEMBL8538511 0.83 SLC9A1 (0.43) SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098866-B1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2004-02-11 EP claimed
US-6573404-B2 Intermediates in industrial organic synthesis, e.g. in the preparation of fine chemicals, dyes and crop-protection compositions MERCK PATENT GMBH (DE) 2003-06-03 US claimed
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK KGAA (DE) 2003-04-10 US claimed
US-20020091286-A1 Method for producing ortho-alkylated benzoic acid derivatives MERCK GMBH (DE) 2002-07-11 US claimed
US-6673968-B1 REACTING 4-CHLORO-2-METHYL-5-(METHYLSULFONYL)BENZOIC ACID WITH SODIUM METHANESULFINATE, THEN WITH GUANIDINE, SALT FORMATION; ANTIARRHYTHMIC; NHE-1 SELECTIVE NA+/H+ ANTIPORTER INHIBITOR MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-01-06 US disclosed
EP-1224166-B1 METHOD OF PRODUCING N-(4,5-BIS-METHANESULFONYL-2-METHYL-BENZOYL)-GUANIDINE, THE HYDROCHLORIDE THEREOF MERCK PATENT GMBH (DE) 2003-09-17 EP disclosed
US-6573404-B2 Intermediates in industrial organic synthesis, e.g. in the preparation of fine chemicals, dyes and crop-protection compositions MERCK PATENT GMBH (DE) 2003-06-03 US disclosed
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK KGAA (DE) 2003-04-10 US disclosed
US-6515143-B2 2-bromo-5-chlorotoluene is reacted with a secondary or tertiary organolithium compound, and carbon dioxide to give 4-chloro-2-methylbenzoic acid MERCK KGAA (DE) 2003-02-04 US disclosed
EP-1224166-A1 METHOD OF PRODUCING N-(4,5-BIS-METHANESULFONYL-2-METHYL-BENZOYL)-GUANIDINE, THE HYDROCHLORIDE THEREOF MERCK PATENT GmbH (DE) 2002-07-24 EP disclosed
US-20020091286-A1 Method for producing ortho-alkylated benzoic acid derivatives MERCK GMBH (DE) 2002-07-11 US disclosed
US-6350904-B1 CATALYTIC CARBOXYLATION OF HALOALKYLBENZENE MERCK KGAA (DE) 2002-02-26 US disclosed
WO-2001030750-A1 METHOD OF PRODUCING N-(4,5-BIS-METHANESULFONYL-2-METHYL-BENZOYL)-GUANIDINE, THE HYDROCHLORIDE THEREOF MERCK PATENT GMBH (DE) 2001-05-03 WO disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 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 (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-20020091286-A1 Method for producing ortho-alkylated benzoic acid derivatives AOC2, OXER1, GABBR2 SLC9A1 2216/4885
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES AOC2, OXER1, GABBR2 SLC9A1 2216/4885

“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.