SCHEMBL3779409

SCHEMBL3779409

O=C(N=S(=O)=O)Nc1cc(Cl)ccc1C(=O)OCc1ccccc1.O=C(Nc1ccccc1Cl)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.49
GRIK1 P39086 1/20 0.47
OPRK1 P41145 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHODH Q02127 2/20 0.41
TRPM4 Q8TD43 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8479003 0.78 CASP3 (0.62) CASP3GRIK1NPC1RAB9AKDM4E
SCHEMBL30207803 0.78 NPC1 (0.68) CASP3NPC1RAB9AMEN1KMT2A
SCHEMBL3782118 0.78 NPC1 (0.68) CASP3NPC1RAB9AMEN1KMT2A
SCHEMBL3782993 0.78 ALDH1A1 (0.53) CASP3OPRK1NPC1RAB9AKDM4E
SCHEMBL3779405 0.76 CASP3 (0.47) CASP3GRIK1OPRK1MEN1KMT2A
SCHEMBL3786368 0.74 MEN1 (0.59) CASP3OPRK1NPC1RAB9AMEN1
Formic Acid SCHEMBL27606526 0.73 NPC1 (0.61) CASP3NPC1RAB9AMEN1KMT2A
SCHEMBL27549655 0.73 CYP1A2 (0.53) CASP3NPC1RAB9AKDM4EMEN1
SCHEMBL16193637 0.72 ALOX15 (0.61) CASP3OPRK1NPC1RAB9AKDM4E
SCHEMBL1131165 0.72 CASP3 (0.61) CASP3OPRK1NPC1RAB9AKDM4E

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 18 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-7618977-B2 Method of treating dermatitis comprising administering a chymase inhibitor ASUBIO PHARMA CO., LTD. (JP) 2009-11-17 US disclosed
US-7169951-B2 Quinazoline derivatives and pharmaceutical applications thereof DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2007-01-30 US disclosed
EP-1174151-B1 THERAPEUTIC TREATMENT OF EOSINOPHILIA USING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT DAIICHI ASUBIO PHARMA CO LTD (JP) 2007-01-24 EP 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-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
US-20020183339-A1 Medicament for prevention and treatment of dermatitis having chymase inhibitor as effective ingredient DAIICHI SANKYO COMPANY, LIMITED (JP) 2002-12-05 US disclosed
US-20020183338-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR FIBROSIS CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT ASUBIO PHARMA CO., LTD. (JP) 2002-12-05 US 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-1192950-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR DERMATITISES 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-1114035-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNTORY LIMITED (JP) 2001-07-11 EP disclosed
WO-2000010982-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEROF SUNTORY LIMITED (JP) 2000-03-02 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 (5 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 CASP3 1075/4885GRIK1 3400/4885OPRK1 3354/4885
US-20020183339-A1 Medicament for prevention and treatment of dermatitis having chymase inhibitor as effective ingredient CMA1, SERPINB1, TSLP CASP3 371/4885GRIK1 774/4885OPRK1 2428/4885
US-20050148608-A1 Quinazoline derivatives and pharmaceutical applications thereof CMA1, ACE, ACE2 CASP3 1545/4885GRIK1 1486/4885OPRK1 1222/4885
US-20020183338-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR FIBROSIS CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT CMA1, MMP1, SERPINB1 CASP3 821/4885GRIK1 3853/4885OPRK1 2355/4885
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 CASP3 569/4885GRIK1 869/4885OPRK1 2423/4885

“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.