SCHEMBL6923112

SCHEMBL6923112

Cc1cc(-n2cccc2)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.67
SLC9A3 P48764 1/20 0.67
SLC9A2 Q9UBY0 1/20 0.67

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
SCHEMBL6927272 0.84 SLC9A1 (0.63) SLC9A1SLC9A3SLC9A2
Eniporide SCHEMBL6619624 0.81 SLC9A1 (1.00) SLC9A1SLC9A3SLC9A2
Eniporide SCHEMBL29359307 0.81 SLC9A1 (1.00) SLC9A1SLC9A3SLC9A2
Eniporide SCHEMBL29359767 0.79 SLC9A1 (0.95) SLC9A1SLC9A3SLC9A2
Eniporide SCHEMBL6619621 0.79 SLC9A1 (0.63) SLC9A1SLC9A3SLC9A2
SCHEMBL5190885 0.78 SLC9A1 (0.59) SLC9A1
Eniporide SCHEMBL6623628 0.78 SLC9A1 (0.62) SLC9A1SLC9A3SLC9A2
SCHEMBL7352153 0.78 SLC9A1 (0.62) SLC9A1SLC9A3SLC9A2
SCHEMBL7158966 0.78 SLC9A1 (0.48) SLC9A1SLC9A3SLC9A2
SCHEMBL6623631 0.74 SLC9A1 (0.73) SLC9A1SLC9A3SLC9A2

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
WO-2000066552-A1 METHOD FOR PRODUCING A BENZOYLGUANIDINE DERIVATIVE MERCK PATENT GMBH (DE) 2000-11-09 WO 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 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
WO-2001002353-A1 METHOD FOR PRODUCING A 4-(PYRROLE-1-YL)-BENZOYLGUANIDINE DERIVATIVE MERCK PATENT GMBH (DE) 2001-01-11 WO disclosed
WO-2000066552-A1 METHOD FOR PRODUCING A BENZOYLGUANIDINE DERIVATIVE MERCK PATENT GMBH (DE) 2000-11-09 WO 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 2216/4885SLC9A3 2590/4885SLC9A2 1119/4885
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES AOC2, OXER1, GABBR2 SLC9A1 2216/4885SLC9A3 2590/4885SLC9A2 1119/4885

“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.