SCHEMBL5190885

SCHEMBL5190885

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.59
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1763798 0.85 CA12 (0.51) SLC9A1LMNAALDH1A1MAPK1
SCHEMBL6674304 0.85 CISD1 (0.50) SLC9A1LMNAALDH1A1MAPK1
SCHEMBL7764035 0.85 SLC9A1 (0.45) SLC9A1LMNAALDH1A1MAPK1
SCHEMBL6922321 0.85 SLC9A1 (0.49) SLC9A1LMNAALDH1A1MAPK1KDM4E
SCHEMBL6901487 0.82 SLC9A1 (0.43) SLC9A1LMNAALDH1A1MAPK1
SCHEMBL6719348 0.82 SLC9A1 (0.57) SLC9A1
SCHEMBL8059191 0.81 SLC9A1 (0.42) SLC9A1LMNAALDH1A1MAPK1HSD17B10
SCHEMBL9018704 0.79 SLC9A1 (0.41) SLC9A1LMNAALDH1A1MAPK1
SCHEMBL13751701 0.79 ALDH1A1 (0.49) SLC9A1LMNAALDH1A1MAPK1HPGD
SCHEMBL6749760 0.79 SLC9A1 (0.54) SLC9A1ALDH1A1HSD17B10KDM4E

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 22 patents — showing the first 20. 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
JP-2002521352-A 2002-07-16 JP claimed
US-20020091286-A1 Method for producing ortho-alkylated benzoic acid derivatives MERCK GMBH (DE) 2002-07-11 US claimed
EP-1098866-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2001-05-16 EP claimed
WO-2000005187-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-03 WO claimed
US-20070299139-A1 Lyophilisate Comprising N-Diaminomethylene-2-Methyl-4,5-Di(Methylsulfonyl)Benzamide MERCK PATENT GMBH (DE) 2007-12-27 US disclosed
EP-1791528-A1 LYOPHILISATE CONTAINING N-DIAMINOMETHYLENE-2-METHYL-4,5-DI-(METHYLSULFONYL)-BENZAMIDE Merck Patent GmbH (DE) 2007-06-06 EP disclosed
WO-2006032386-A1 LYOPHILISATE CONTAINING N-DIAMINOMETHYLENE-2-METHYL-4,5-DI-(METHYLSULFONYL)-BENZAMIDE MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed
EP-1098866-B1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2004-02-11 EP disclosed
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-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
EP-1098866-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2001-05-16 EP 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
WO-2000005187-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-03 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 2216/4885LMNA 3337/4885ALDH1A1 870/4885
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES AOC2, OXER1, GABBR2 SLC9A1 2216/4885LMNA 3337/4885ALDH1A1 870/4885

“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.