SCHEMBL2074435

SCHEMBL2074435

CN(C)S(=O)(=O)c1cccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CCCCN3OC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSC P53634 18/20 0.51
CTSK P43235 5/20 0.48
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
KCNH2 Q12809 1/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL2293179 0.93 CTSC (0.54) CTSCCTSKKCNH2
SCHEMBL1498995 0.92 CTSC (0.53) CTSCCTSK
SCHEMBL2074673 0.87 CTSC (0.46) CTSCCTSKKCNH2
SCHEMBL2075338 0.86 CTSC (0.60) CTSCCTSKKCNH2
SCHEMBL2075278 0.86 CTSC (0.47) CTSCCTSKKCNH2
SCHEMBL4243885 0.86 CTSC (0.60) CTSCCTSKKCNH2
SCHEMBL2074666 0.86 CTSC (0.47) CTSCCTSKCTSBKCNH2CTSL
SCHEMBL2297026 0.86 CTSC (0.46) CTSCCTSKKCNH2
SCHEMBL1499084 0.85 CTSC (0.37) CTSCCTSKCTSBCTSSCTSL
SCHEMBL2074465 0.85 CTSC (0.45) CTSCCTSKKCNH2

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 3209/4885CTSK 3280/4885CTSB 1095/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885CTSK 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.