SCHEMBL4090428

SCHEMBL4090428

CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(C#N)c3)nn2CC2CO2)C1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.45
CTSS P25774 11/20 0.44
CREBBP Q92793 1/20 0.39

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
SCHEMBL2980722 0.82 CTSS (0.47) KCNK3CTSSCREBBP
SCHEMBL2975992 0.82 CTSS (0.47) KCNK3CTSSCREBBP
SCHEMBL5123995 0.81 CTSS (0.44) KCNK3CTSSCREBBP
SCHEMBL4090184 0.77 CTSS (0.49) CTSS
SCHEMBL4085391 0.76 MAPK1 (0.48) CREBBP
SCHEMBL2973788 0.74 KCNK3 (0.68) KCNK3CTSSCREBBP
SCHEMBL2969873 0.70 CTSS (0.61) KCNK3CTSSCREBBP
SCHEMBL5131616 0.70 CTSS (0.46) KCNK3CTSSCREBBP
SCHEMBL4714701 0.70 KCNK3 (0.57) KCNK3CTSSCREBBP
SCHEMBL4712483 0.70 KCNK3 (0.57) KCNK3CTSSCREBBP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118274-A1 MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20080269241-A1 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-10-30 US 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 (2 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-20080269241-A1 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ KCNK3 2051/4885CTSS 1/4885CREBBP 2550/4885
US-20090118274-A1 MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ KCNK3 2150/4885CTSS 1/4885CREBBP 3598/4885

“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.