SCHEMBL3777417

SCHEMBL3777417

CCC(C(=O)O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.50
CA1 P00915 12/20 0.50
CA14 Q9ULX7 7/20 0.50
CA7 P43166 5/20 0.50
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CA3 P07451 1/20 0.47
CA6 P23280 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
Benzenesulfonamide SCHEMBL8707507 0.90 CA2 (0.52) CA2CA1CA14CA7CA12
SCHEMBL27466843 0.86 CA2 (0.50) CA2CA1CA14CA7KDM4E
SCHEMBL4482850 0.84 AKR1C3 (0.47) ALDH1A1
SCHEMBL168108 0.84 PSIP1 (0.48) ALDH1A1
SCHEMBL1574429 0.83 AKR1C3 (0.58) CYP2C19ALDH1A1
SCHEMBL4501205 0.80 AKR1C3 (0.43) KDM4ECYP2C19ALDH1A1
SCHEMBL262459 0.78 AKR1C3 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL2171847 0.78 AKR1C3 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL261617 0.78 AKR1C3 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL2514353 0.78 GCK (0.43) ALDH1A1

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 29 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
CN-1245978-C Preventive and therapeutic agent for various diseases associated with eosinophilia comprising chymase inhibitor as active ingredient DAIICHI ASBIAO PHARMACEUTICAL (JP) 2006-03-22 CN disclosed
CN-1245979-C Medicine for preventing and treating dermatitis containing chymase inhibitor as active ingredient DAIICHI ASBIAO PHARMACEUTICAL (JP) 2006-03-22 CN disclosed
CN-1216872-C Quinazoline derivative and pharmaceutical use thereof SUNTORY LTD (JP) 2005-08-31 CN disclosed
CN-1366459-A Preventive and therapeutic agent for various diseases associated with eosinophilia comprising chymase inhibitor as active ingredient SUNTORY LTD (JP) 2002-08-28 CN disclosed
CN-1366460-A Preventive or therapeutic drugs for fibrosis containing chymase inhibitors as active ingredient SUNTORY LTD (JP) 2002-08-28 CN 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
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
CN-1319096-A Quinazoline derivative and pharmaceutical use thereof SUNTORY LTD (JP) 2001-10-24 CN 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 (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-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 CA2 142/4885CA1 632/4885CA14 538/4885

“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.