SCHEMBL2074301

SCHEMBL2074301

Cn1c(=O)sc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4CCCCN4)cc3)cc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 0.68
KCNH2 Q12809 3/20 0.68
CTSK P43235 5/20 0.67

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
SCHEMBL1499052 1.00 CTSC (0.68) CTSCKCNH2CTSK
SCHEMBL3810038 0.93 CTSC (0.67) CTSCKCNH2CTSK
SCHEMBL2073339 0.93 CTSC (0.67) CTSCKCNH2CTSK
SCHEMBL2073336 0.93 CTSC (0.67) CTSCKCNH2CTSK
SCHEMBL1499030 0.90 CTSC (0.63) CTSCKCNH2CTSK
SCHEMBL2075035 0.90 CTSC (0.63) CTSCKCNH2CTSK
SCHEMBL1499210 0.89 CTSC (0.72) CTSCKCNH2CTSK
SCHEMBL2072745 0.89 CTSC (0.72) CTSCKCNH2CTSK
SCHEMBL8028433 0.87 CTSC (0.52) CTSCKCNH2CTSK
SCHEMBL2075291 0.85 CTSC (0.63) CTSCKCNH2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US claimed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US claimed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US claimed
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
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885KCNH2 2084/4885CTSK 3280/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885KCNH2 2084/4885CTSK 3280/4885

“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.