SCHEMBL6421328

SCHEMBL6421328

Cc1ccccc1S(=O)O.[Na]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ACHE P22303 2/20 0.41
G6PD P11413 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32

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
SCHEMBL29895885 0.98 TSHR (0.43) TSHRACHEG6PDKEAP1NFE2L2
SCHEMBL1652088 0.98 TSHR (0.43) TSHRACHEG6PDKEAP1NFE2L2
SCHEMBL1584748 0.95 TSHR (0.41) TSHRACHEG6PDKEAP1NFE2L2
SCHEMBL9652289 0.95 TSHR (0.41) TSHRACHEG6PDKEAP1NFE2L2
SCHEMBL28439337 0.95 TSHR (0.41) TSHRACHEG6PDKEAP1NFE2L2
SCHEMBL3152593 0.95 TSHR (0.41) TSHRACHEG6PDKEAP1NFE2L2
Ammonia Solution, Strong SCHEMBL3156378 0.95 TSHR (0.41) TSHRACHEG6PDKEAP1NFE2L2
Ammonia Solution, Strong SCHEMBL3156386 0.95 TSHR (0.41) TSHRACHEG6PDKEAP1NFE2L2
SCHEMBL4383783 0.95 TSHR (0.41) TSHRACHEG6PDKEAP1NFE2L2
SCHEMBL3157627 0.95 TSHR (0.41) TSHRACHEG6PDKEAP1NFE2L2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291346-B1 Process for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORP (US) 2005-03-23 EP disclosed
US-6617460-B1 5-hydrocarbylsulfoxy-4,5,6,7-tetrahydroindol-4-one intermediates useful in the preparation of 1H-indole-3-glyoxamides. ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-6570023-B1 Chemical intermediate for drug to threat sepsis shock, rheumatic diseases ELI LILLY AND COMPANY 2003-05-27 US disclosed
EP-0941994-B1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
EP-0708768-B1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
EP-1291346-A1 Process for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORPORATION (US) 2003-03-12 EP disclosed
EP-1119549-A4 PROCESS FOR PREPARING 4-SUBSTITUTED-1H-INDOLE-3-GLYOXAMIDES LILLY CO ELI (US) 2003-01-29 EP disclosed
US-20020188122-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2002-12-12 US disclosed
EP-1229035-A1 Imine intermediates for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORPORATION (US) 2002-08-07 EP disclosed
EP-1227091-A2 Formamide intermediates for the preparation of tri-substituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP disclosed
WO-2000021929-A1 PROCESS FOR PREPARING 4-SUBSTITUTED-1H-INDOLE-3-GLYOXAMIDES ELI LILLY AND COMPANY (US) 2000-04-20 WO disclosed
US-5969184-A INTERMEDIATES FOR COMPOUNDS WHICH CONTROL PRODUCTION OF EXCESSIVE INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1999-10-19 US disclosed
EP-0941994-A1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed
US-5670527-A CYTOKINE INHIBITORS USEFUL IN TREATING ASTHMA, OSTEOPOROSIS, ARTHRITIS, INFLAMMATION, SEPSIS, CARDIOVASCULAR DISORDERS, DIABETES, MULTIPLE SCLEROSIS, SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-23 US disclosed
US-5663334-A CYTOKINE INHIBITORS FORMED BY REACTION OF IMINE WITH SULFUR SUBSTITUTED NITRILE SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5593992-A CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-14 US disclosed
EP-0708768-A4 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 1996-08-21 EP disclosed
EP-0708768-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP disclosed
WO-1995002591-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed
US-5252629-A Adhesives for dentin GC CORPORATION (JP) 1993-10-12 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 (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-20020188122-A1 Novel compounds IL2, IFNG, IL1RN TSHR 3614/4885ACHE 4842/4885G6PD 1579/4885

“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.