SCHEMBL190004

SCHEMBL190004

CS(=O)(=O)Nc1cccc(OBOc2cccc(NS(C)(=O)=O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 1/20 0.51
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ PGR P06401 1/20 0.49
▸ KIF11 P52732 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42

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
SCHEMBL1277402 0.85 DRD2 (0.48) SMN1; SMN2ALDH1A1POLBDRD2DRD4
SCHEMBL4204011 0.84 PGR (0.62) SMN1; SMN2ALDH1A1POLBDRD2DRD4
SCHEMBL309673 0.82 LMNA (0.60) SMN1; SMN2ALDH1A1POLBDRD2DRD4
SCHEMBL27363449 0.81 POLB (0.53) SMN1; SMN2ALDH1A1POLBDRD2DRD4
Hydrochloric Acid SCHEMBL20502482 0.81 LMNA (0.59) SMN1; SMN2ALDH1A1POLBDRD2DRD4
SCHEMBL28178583 0.79 PGR (0.72) SMN1; SMN2ALDH1A1POLBDRD2DRD4
SCHEMBL698855 0.79 KEAP1 (0.70) SMN1; SMN2ALDH1A1POLBKEAP1KIF11
SCHEMBL321265 0.78 PGR (0.59) SMN1; SMN2ALDH1A1DRD3KEAP1PGR
SCHEMBL31108381 0.77 POLB (0.53) SMN1; SMN2ALDH1A1POLBDRD2DRD4
SCHEMBL27762863 0.77 POLB (0.53) SMN1; SMN2ALDH1A1POLBDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 — — US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 — — US disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 — — EP disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 — — US disclosed
US-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 — — US disclosed
EP-2773613-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION Astex Therapeutics Limited (GB) 2014-09-10 — — EP disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 — — US disclosed
US-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 — — US disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 — — US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 — — US disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 — — WO disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 — — EP disclosed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 — — WO disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 — — US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 — — US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 — — WO disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 — — WO disclosed
EP-0583383-B1 LIQUID DETERGENTS WITH AN ARYL BORONIC ACID PROCTER & GAMBLE (US) 1995-12-13 — — EP disclosed
EP-0583383-A1 LIQUID DETERGENTS WITH AN ARYL BORONIC ACID. PROCTER & GAMBLE (US) 1994-02-23 — — EP disclosed
WO-1992019707-A1 LIQUID DETERGENTS WITH AN ARYL BORONIC ACID THE PROCTER & GAMBLE COMPANY (US) 1992-11-12 — — 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 (6 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ SMN1; SMN2 4575/4885ALDH1A1 710/4885POLB 4328/4885
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 SMN1; SMN2 3360/4885ALDH1A1 2303/4885POLB 1074/4885
US-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION NR1H4, CFH, SLC10A1 SMN1; SMN2 2304/4885ALDH1A1 1940/4885POLB 2352/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 SMN1; SMN2 1812/4885ALDH1A1 3687/4885POLB 2033/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 SMN1; SMN2 1704/4885ALDH1A1 1974/4885POLB 1824/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 SMN1; SMN2 1704/4885ALDH1A1 1974/4885POLB 1824/4885

“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.

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