SCHEMBL1163905

SCHEMBL1163905

CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC2CO2)C1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.54
▸ CD74 P04233 7/20 0.54

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
SCHEMBL4714854 1.00 CTSS (0.54) CTSSCD74
SCHEMBL9889387 0.88 CTSS (0.49) CTSSCD74
SCHEMBL4715724 0.87 CTSS (0.55) CTSSCD74
SCHEMBL2973788 0.83 KCNK3 (0.68) CTSSCD74
SCHEMBL2982272 0.82 CTSS (0.56) CTSSCD74
SCHEMBL2982361 0.82 CTSS (0.60) CTSSCD74
SCHEMBL4716707 0.81 CTSS (0.64) CTSSCD74
SCHEMBL4716819 0.81 CTSS (0.64) CTSSCD74
SCHEMBL1163858 0.80 CTSS (0.63) CTSSCD74
SCHEMBL12878789 0.80 CTSS (0.63) CTSSCD74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2464646-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-06-20 — — EP disclosed
US-20120142928-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-06-07 — — US disclosed
WO-2011019842-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 — — WO disclosed
US-7772236-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2010-08-10 — — US disclosed
US-7589202-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2009-09-15 — — US disclosed
US-20080300255-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-12-04 — — US disclosed
US-20080293732-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-11-27 — — US disclosed
US-7452890-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-11-18 — — 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
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 — — US disclosed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 — — US disclosed
WO-2002020012-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002020011-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
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 — — WO disclosed
WO-2002014314-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 (8 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 1/4885CD74 880/4885
US-20080293732-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885CD74 80/4885
US-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885CD74 125/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885CD74 80/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885CD74 519/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885CD74 519/4885
US-20120142928-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF CTSS 1/4885CD74 880/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885CD74 125/4885

“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.

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