SCHEMBL6900581

SCHEMBL6900581

Cc1cc(S(C)(=O)=O)c(S(C)(=O)=O)cc1N=C(N)N

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6903753 0.80 SLC9A1 (0.63) SLC9A1
Rimeporide SCHEMBL30309010 0.70 SLC9A1 (1.00) SLC9A1
Rimeporide SCHEMBL1019633 0.70 SLC9A1 (1.00) SLC9A1
Rimeporide SCHEMBL1022632 0.69 SLC9A1 (0.97) SLC9A1
Rimeporide SCHEMBL29406681 0.69 SLC9A1 (0.97) SLC9A1
Rimeporide SCHEMBL16712399 0.69 SLC9A1 (0.97) SLC9A1
SCHEMBL7119046 0.68 SLC9A1 (0.40) SLC9A1L3MBTL1
Rimeporide SCHEMBL1020614 0.68 SLC9A1 (0.94) SLC9A1
SCHEMBL7119052 0.64 GRIA1 (0.47) SLC9A1L3MBTL1
SCHEMBL12516764 0.64 HTR3E (0.50)

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 6 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 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
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

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 2216/4885L3MBTL1 4404/4885
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES AOC2, OXER1, GABBR2 SLC9A1 2216/4885L3MBTL1 4404/4885

“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.