SCHEMBL2074655

SCHEMBL2074655

CC(C)(C)OC(=O)NC(C#N)Cc1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.57
CTSS P25774 10/20 0.55
CTSK P43235 10/20 0.55
CTSB P07858 4/20 0.55
MME P08473 1/20 0.50
PTPN1 P18031 1/20 0.48
CTSL P07711 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CTSH P09668 1/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL2074657 1.00 CTSC (0.57) CTSCCTSSCTSKCTSBMME
SCHEMBL30195065 0.89 CTSC (0.56) CTSCCTSSCTSKKCNH2
SCHEMBL20162060 0.89 CTSC (0.56) CTSCCTSSCTSKKCNH2
SCHEMBL3701145 0.88 CTSK (0.56) CTSCCTSSCTSKCTSBMME
SCHEMBL3701144 0.88 CTSK (0.56) CTSCCTSSCTSKCTSBMME
SCHEMBL8036118 0.87 CTSS (0.55) CTSCCTSSCTSKCTSBMME
SCHEMBL2892625 0.84 CTSC (0.54) CTSCCTSSCTSKCTSBMME
SCHEMBL2892624 0.84 CTSC (0.54) CTSCCTSSCTSKCTSBMME
SCHEMBL2075293 0.83 CTSC (0.64) CTSCCTSSCTSKCTSBMME
SCHEMBL12383142 0.82 CTSC (0.58) CTSCCTSSCTSKCTSBPTPN1

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 CTSC 3209/4885CTSS 2724/4885CTSK 3280/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885CTSS 2724/4885CTSK 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.