SCHEMBL2073322

SCHEMBL2073322

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.46
VHL P40337 1/20 0.46
JAK2 O60674 2/20 0.41
USP30 Q70CQ3 1/20 0.40
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
SCD5 Q86SK9 1/20 0.39
JAK3 P52333 1/20 0.39
XIAP P98170 2/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2073323 1.00 CTSC (0.46) CTSCVHLJAK2USP30MC4R
SCHEMBL12422472 0.91 CTSC (0.47) CTSCJAK2USP30MC4RMC5R
SCHEMBL2074846 0.90 CTSC (0.48) CTSCVHLJAK2USP30MC4R
SCHEMBL2074847 0.90 CTSC (0.48) CTSCVHLJAK2USP30MC4R
SCHEMBL2073451 0.89 VHL (0.51) CTSCVHLOPRM1OPRD1OPRK1
SCHEMBL7859717 0.89 CTSC (0.50) CTSCVHLJAK2USP30MC4R
SCHEMBL2074469 0.88 CTSC (0.61) CTSC
SCHEMBL2074471 0.88 CTSC (0.61) CTSC
SCHEMBL2074854 0.84 VHL (0.46) VHLJAK2USP30MC4RMC5R
SCHEMBL2074856 0.84 VHL (0.46) VHLJAK2USP30MC4RMC5R

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-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 (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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885VHL 4069/4885JAK2 1512/4885

“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.