SCHEMBL3790641

SCHEMBL3790641

CC(C)(C)OC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2cc(Cl)ccc2C(=O)OCc2ccccc2)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STS P08842 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
OPRK1 P41145 1/20 0.39
DHODH Q02127 1/20 0.38
IDH2 P48735 1/20 0.38
RORC P51449 1/20 0.38
BCL2 P10415 2/20 0.37
MCL1 Q07820 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL3788012 0.97 CASP3 (0.43) CASP3KMT2AMEN1L3MBTL1STS
SCHEMBL5168453 0.92 CASP3 (0.43) CASP3KMT2AMEN1L3MBTL1STS
SCHEMBL3782300 0.91 ALDH1A1 (0.45) KMT2AMEN1STSMAPTTP53
SCHEMBL3790633 0.90 NPC1 (0.47) CASP3KMT2AMEN1L3MBTL1STS
SCHEMBL3779405 0.90 CASP3 (0.47) CASP3KMT2AMEN1L3MBTL1STS
SCHEMBL3787514 0.83 MCL1 (0.44) CASP3MAPTTP53DHODHMCL1
SCHEMBL3784801 0.81 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPT
SCHEMBL1186089 0.81 KMT2A (0.48) KMT2ANPC1RAB9A
SCHEMBL3783035 0.77 FLT1 (0.43) KMT2AMEN1STSTP53
SCHEMBL5166103 0.75 MCL1 (0.54) MCL1

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
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
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
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-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-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-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
CN-1335778-A Blood vessel lipid deposition inhibitor containing chymotrypsin inhibitor SUNTORY LTD (JP) 2002-02-13 CN 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
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 1075/4885KMT2A 1981/4885MEN1 1571/4885
US-20020183339-A1 Medicament for prevention and treatment of dermatitis having chymase inhibitor as effective ingredient CMA1, SERPINB1, TSLP CASP3 371/4885KMT2A 1010/4885MEN1 4557/4885
US-20050148608-A1 Quinazoline derivatives and pharmaceutical applications thereof CMA1, ACE, ACE2 CASP3 1545/4885KMT2A 3239/4885MEN1 3759/4885
US-20020183338-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR FIBROSIS CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT CMA1, MMP1, SERPINB1 CASP3 821/4885KMT2A 2905/4885MEN1 1665/4885
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 CASP3 569/4885KMT2A 1098/4885MEN1 4531/4885

“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.