SCHEMBL2980722

SCHEMBL2980722

Cc1cc(-c2nn(CC3CO3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.47
KCNK3 O14649 2/20 0.45
CREBBP Q92793 1/20 0.42
ESR2 Q92731 1/20 0.40

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
SCHEMBL5123995 0.92 CTSS (0.44) CTSSKCNK3CREBBPESR2
SCHEMBL4714701 0.88 KCNK3 (0.57) CTSSKCNK3CREBBP
SCHEMBL4712483 0.88 KCNK3 (0.57) CTSSKCNK3CREBBP
SCHEMBL2975992 0.86 CTSS (0.47) CTSSKCNK3CREBBP
SCHEMBL4090428 0.82 KCNK3 (0.45) CTSSKCNK3CREBBP
SCHEMBL2975645 0.78 KCNK3 (0.51) CTSSKCNK3CREBBP
SCHEMBL5127331 0.76 CTSS (0.48) CTSSKCNK3CREBBP
SCHEMBL2980670 0.76 CREBBP (0.62) CTSSKCNK3CREBBP
SCHEMBL2972529 0.76 CTSS (0.80) CTSS
SCHEMBL5131752 0.76 CTSS (0.44) CTSSKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 US disclosed
US-7417046-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 US disclosed
US-7393850-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-01 US disclosed
US-7388011-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-06-17 US disclosed
US-7332494-B2 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-19 US disclosed
US-20070004738-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
US-20070004754-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
EP-1315491-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2006-08-09 EP disclosed
EP-1315491-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309591-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20030073672-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-17 US disclosed
US-20030069240-A1 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-10 US disclosed
US-20020040020-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-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 (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-20080293732-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885KCNK3 2071/4885CREBBP 2922/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885KCNK3 2071/4885CREBBP 2922/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885KCNK3 2071/4885CREBBP 2922/4885
US-20030069240-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885KCNK3 346/4885CREBBP 1005/4885
US-20030073672-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885KCNK3 346/4885CREBBP 1005/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885KCNK3 2071/4885CREBBP 2922/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885KCNK3 2182/4885CREBBP 3211/4885

“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.