SCHEMBL2074401

SCHEMBL2074401

CC(C)(C)OC(=O)NC(C#N)Cc1ccc(I)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.51
CTSK P43235 13/20 0.51
CTSB P07858 4/20 0.50
CTSL P07711 3/20 0.50
CTSC P53634 4/20 0.48
ATM Q13315 1/20 0.43

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
SCHEMBL2074403 1.00 CTSS (0.51) CTSSCTSKCTSBCTSLCTSC
SCHEMBL21013700 0.88 CTSK (0.52) CTSSCTSKCTSBCTSLCTSC
SCHEMBL19969082 0.87 CTSS (0.51) CTSSCTSKCTSBCTSLCTSC
SCHEMBL20415718 0.87 CTSC (0.58) CTSSCTSKCTSBCTSLCTSC
SCHEMBL2617400 0.87 CTSS (0.65) CTSSCTSKCTSBCTSLCTSC
SCHEMBL2329798 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLCTSC
SCHEMBL2329795 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLCTSC
SCHEMBL18262403 0.86 CTSS (0.53) CTSSCTSKCTSBCTSLCTSC
SCHEMBL20415722 0.86 CTSK (0.50) CTSSCTSKCTSBCTSLCTSC
SCHEMBL28912771 0.86 CTSL (0.53) CTSSCTSKCTSBCTSLCTSC

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 3 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
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 CTSS 2724/4885CTSK 3280/4885CTSB 1095/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSS 2724/4885CTSK 3280/4885CTSB 1095/4885

“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.