SCHEMBL1433101

SCHEMBL1433101

Cc1nc(N)ccc1CNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.65
CTSK P43235 7/20 0.65
F2 P00734 4/20 0.51
CYP3A4 P08684 3/20 0.49
MASP2 O00187 2/20 0.47
CTSL P07711 3/20 0.46
SCN9A Q15858 2/20 0.44
CTSB P07858 2/20 0.44
PSMB1 P20618 1/20 0.44
PSMB8 P28062 1/20 0.44
PSMB9 P28065 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB10 P40306 1/20 0.44
PSMB2 P49721 1/20 0.44

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
SCHEMBL1432788 0.85 CTSS (0.65) CTSSCTSKCYP3A4CTSLSCN9A
SCHEMBL7860818 0.83 CTSS (0.79) CTSSCTSKCYP3A4CTSLCTSB
SCHEMBL1908220 0.81 CTSS (0.64) CTSSCTSKCYP3A4CTSLSCN9A
SCHEMBL8310285 0.81 CTSS (0.71) CTSSCTSKCYP3A4CTSLCTSB
SCHEMBL3157541 0.80 F2 (0.58) F2MASP2
SCHEMBL1432379 0.80 F2 (0.45) CTSSCTSKF2CYP3A4MASP2
SCHEMBL1433338 0.80 F2 (0.51) CTSSCTSKF2MASP2CTSB
SCHEMBL1433349 0.80 F2 (0.51) CTSSF2MASP2CTSL
Hydrochloric Acid SCHEMBL1432141 0.80 F2 (0.57) F2MASP2
Hydrochloric Acid SCHEMBL3153046 0.80 F2 (0.57) F2MASP2

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 EP disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 CTSS 3171/4885CTSK 2782/4885F2 1046/4885

“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.