SCHEMBL4714447

SCHEMBL4714447

COc1ccc2[nH]c(=O)n(C3CCN(CC(O)Cn4nc(-c5ccc(Br)cc5)c5c4CCN(C(N)=O)C5)CC3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.67

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
SCHEMBL4714019 0.91 CTSS (0.60) CTSS
SCHEMBL4712866 0.88 CTSS (0.74) CTSS
SCHEMBL5528188 0.86 CTSS (0.71) CTSS
SCHEMBL5536485 0.81 CTSS (0.82) CTSS
SCHEMBL4713177 0.80 CTSS (1.00) CTSS
SCHEMBL5541206 0.80 CTSS (1.00) CTSS
SCHEMBL5530663 0.80 CTSS (1.00) CTSS
SCHEMBL5528192 0.79 CTSS (0.90) CTSS
SCHEMBL5528394 0.79 CTSS (1.00) CTSS
SCHEMBL5530585 0.79 CTSS (1.00) CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315490-B1 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2008-11-12 EP claimed
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US claimed
EP-1309593-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-03-15 EP claimed
US-6953793-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-10-11 US claimed
US-20050101587-A9 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICALS, INC. 2005-05-12 US claimed
US-6583155-B2 Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 US claimed
EP-1315490-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP claimed
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP claimed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 US claimed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 US claimed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 US claimed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO claimed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO claimed
US-20140179924-A1 Process for the preparation of cathepsin S inhibitors JANSSEN PHARMACEUTICA NV (US) 2014-06-26 US disclosed
EP-2464646-B1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-07 EP disclosed
US-20120142928-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-06-07 US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 US disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 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 (7 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-20140179924-A1 Process for the preparation of cathepsin S inhibitors CTSS, CTSB, CTSF CTSS 1/4885
US-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885
US-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885
US-20120142928-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF CTSS 1/4885
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles CTSS, CMA1, CTSZ CTSS 1/4885

“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.