SCHEMBL4764729

SCHEMBL4764729

CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 1.00

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
SCHEMBL5258598 0.95 CTSS (0.91) CTSS
SCHEMBL5254774 0.92 CTSS (0.85) CTSS
SCHEMBL4771432 0.91 CTSS (1.00) CTSS
SCHEMBL4770154 0.91 CTSS (0.88) CTSS
SCHEMBL4765159 0.91 CTSS (1.00) CTSS
SCHEMBL4767145 0.89 CTSS (1.00) CTSS
SCHEMBL4769391 0.87 CTSS (1.00) CTSS
SCHEMBL4764793 0.87 CTSS (1.00) CTSS
SCHEMBL4767003 0.87 CTSS (1.00) CTSS
SCHEMBL14610102 0.87 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 EP claimed
US-7265102-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 US claimed
EP-1309592-B9 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-02-28 EP claimed
EP-1309592-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-04-26 EP claimed
US-20050234102-A1 Substituted pyrazoles CAI HUI 2005-10-20 US claimed
US-6949540-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-09-27 US claimed
US-20030229075-A1 Substituted pyrazoles CAI HUI (US) 2003-12-11 US claimed
US-6579896-B2 Immunology response; autoimmune disease ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 US claimed
EP-1315492-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP claimed
EP-1309592-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP claimed
US-20020147189-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-10-10 US claimed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US claimed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO claimed
WO-2002014317-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO claimed
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 EP disclosed
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 EP disclosed
US-7265102-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 US disclosed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US disclosed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014317-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 (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-20030229075-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885
US-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 354/4885
US-20050234102-A1 Substituted pyrazoles CTSS, CTSZ, CTSV 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.