SCHEMBL5520069

SCHEMBL5520069

CN(C)C(=O)C1(NC(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.62
CTSL P07711 6/20 0.62
CTSB P07858 5/20 0.62
CTSK P43235 6/20 0.53
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL6183576 0.87 CTSS (0.65) CTSSCTSLCTSBCTSK
SCHEMBL6184079 0.86 CTSS (0.67) CTSSCTSLCTSBCTSK
SCHEMBL1151498 0.85 CTSS (0.65) CTSSCTSLCTSBCTSKTSHR
SCHEMBL19920764 0.85 CTSB (0.48) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL8981148 0.83 CTSS (0.67) CTSSCTSLCTSBCTSKNPC1
SCHEMBL1839379 0.83 CTSS (0.67) CTSSCTSLCTSBCTSKNPC1
SCHEMBL8981271 0.83 CTSS (0.67) CTSSCTSLCTSBCTSKNPC1
SCHEMBL8981223 0.83 CTSS (0.67) CTSSCTSLCTSBCTSKNPC1
SCHEMBL8981228 0.83 CTSS (0.67) CTSSCTSLCTSBCTSKNPC1
SCHEMBL2715828 0.83 CTSS (0.52) CTSSCTSLCTSBCTSKCYP3A4

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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 CTSS 3342/4885CTSL 3370/4885CTSB 3257/4885

“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.