SCHEMBL2072010

SCHEMBL2072010

Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4CCCCN4C(=O)O)cc3)cc21

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 0.66
KCNH2 Q12809 2/20 0.52

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
SCHEMBL2074469 0.90 CTSC (0.61) CTSCKCNH2
SCHEMBL2074471 0.90 CTSC (0.61) CTSCKCNH2
SCHEMBL2074633 0.89 CTSC (0.67) CTSCKCNH2
SCHEMBL2073451 0.86 VHL (0.51) CTSC
SCHEMBL30738859 0.86 CTSC (0.73) CTSCKCNH2
SCHEMBL32680926 0.86 CTSC (0.73) CTSCKCNH2
SCHEMBL27381155 0.86 CTSC (0.73) CTSCKCNH2
Trifluoroacetic Acid SCHEMBL16478370 0.85 CTSC (0.69) CTSCKCNH2
SCHEMBL3657032 0.84 CTSC (0.49) CTSCKCNH2
Trifluoroacetic Acid SCHEMBL16478344 0.84 CTSC (0.68) CTSCKCNH2

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-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 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 (1 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-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885KCNH2 2084/4885

“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.