SCHEMBL3779441

SCHEMBL3779441

CC(C(=O)O)C(=O)Nc1cccc(S(=O)(=O)n2c(=O)[nH]c3cc(Cl)ccc3c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.55
KDM1A O60341 1/20 0.41
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCRTR1 O43613 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
ERCC1 P07992 2/20 0.36
FEN1 P39748 2/20 0.36
ERCC4 Q92889 2/20 0.36
DNASE1 P24855 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3786269 0.81 CMA1 (0.59) CMA1CA9CA12CA1CA2
SCHEMBL3781496 0.79 CMA1 (0.71) CMA1CA9CA12HTTCA1
SCHEMBL7460037 0.78 CMA1 (0.67) CMA1CA9CA12MAPTCA1
SCHEMBL7464965 0.78 CMA1 (0.85) CMA1CA9CA12LMNAHTT
SCHEMBL7469747 0.78 CMA1 (0.65) CMA1CA9CA12MAPTCA1
SCHEMBL3781115 0.77 CMA1 (0.64) CMA1CA9CA12CA1CA2
SCHEMBL3782983 0.76 CMA1 (0.63) CMA1CA9CA12CA1CA2
SCHEMBL7469742 0.76 CMA1 (0.69) CMA1CA9CA12CA1CA2
SCHEMBL3782209 0.75 CMA1 (0.71) CMA1CA9CA12CA1CA2
SCHEMBL3784343 0.74 CMA1 (0.60) CMA1CA9CA12SMN1; SMN2CA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR ASUBIO PHARMA CO., LTD. (JP) 2010-02-04 US disclosed
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
EP-1142586-B1 USE OF CHYMASE INHIBITORS AGAINST VASCULAR LIPID DEPOSITION DAIICHI ASUBIO PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-7169951-B2 Quinazoline derivatives and pharmaceutical applications thereof DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2007-01-30 US disclosed
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO disclosed
EP-1192950-B1 THERAPEUTIC DRUGS FOR DERMATITIS EXHIBITING A BIPHASIC SKIN REACTION CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-07-26 EP disclosed
EP-1114035-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-05-17 EP disclosed
US-6921766-B1 Blood vessel lipid deposition-preventive agent comprising chymase-inhibitor DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-07-26 US disclosed
US-20050148608-A1 Quinazoline derivatives and pharmaceutical applications thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-07-07 US disclosed
US-6867214-B1 Quinazoline derivatives and pharmaceutical applications thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
US-6677344-B2 Chymase inhibitor for the treatment of eosinophilia DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-01-13 US disclosed
US-6500835-B2 FOR PROPHYLAXIS AND THERAPY OF FIBROSIS INVOLVING EXTRACELLULAR MATRIX DYSBOLISM HAVING A CHYMASE INHIBITOR AS AN EFFECTIVE INGREDIENT; SIDE EFFECT REDUCTION SUNTORY LIMITED (JP) 2002-12-31 US disclosed
US-20020187989-A1 Preventive or therapeutic drugs for various eosinophilia-related diseases containg chymase inhibitors as the active ingredient ASUBIO PHARMA CO., LTD. (JP) 2002-12-12 US disclosed
EP-1192950-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR DERMATITISES CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2002-04-03 EP disclosed
EP-1192949-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR FIBROSIS CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2002-04-03 EP disclosed
EP-1174151-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR VARIOUS EOSINOPHILIA-RELATED DISEASES CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2002-01-23 EP disclosed
EP-1142586-A1 INHIBITORS AGAINST VASCULAR LIPID DEPOSITION CONTAINING CHYMASE-INHIBITING SUBSTANCES SUNTORY LIMITED (JP) 2001-10-10 EP 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 (4 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-20020187989-A1 Preventive or therapeutic drugs for various eosinophilia-related diseases containg chymase inhibitors as the active ingredient CMA1, SERPINB1, EPX CMA1 1/4885KDM1A 490/4885CA9 525/4885
US-20050148608-A1 Quinazoline derivatives and pharmaceutical applications thereof CMA1, ACE, ACE2 CMA1 1/4885KDM1A 1961/4885CA9 114/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CMA1 313/4885KDM1A 4714/4885CA9 4051/4885
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 CMA1 1/4885KDM1A 691/4885CA9 602/4885

“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.