SCHEMBL464398

SCHEMBL464398

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.63
CTSK P43235 9/20 0.63
CTSB P07858 4/20 0.63
CTSL P07711 2/20 0.63
ATM Q13315 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.60
AKT1 P31749 1/20 0.56
PSMB1 P20618 1/20 0.51
PSMB8 P28062 1/20 0.51
PSMB9 P28065 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB10 P40306 1/20 0.51
PSMB2 P49721 1/20 0.51

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
SCHEMBL14775736 1.00 CTSS (0.63) CTSSCTSKCTSBCTSLATM
SCHEMBL5551983 0.85 CTSS (0.54) CTSSCTSKCTSBCTSLATM
SCHEMBL5556499 0.82 CTSS (0.56) CTSSCTSKCTSBCTSLATM
SCHEMBL9383811 0.82 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1
SCHEMBL9383807 0.82 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4850512 0.81 ATM (0.55) CTSSCTSKCTSBCTSLATM
SCHEMBL7622856 0.81 ATM (0.55) CTSSCTSKCTSBCTSLATM
SCHEMBL21010315 0.81 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10040933 0.81 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440946 0.81 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1

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-8431684-B2 Process for the preparation of ibodutant (MEN15596) and related intermediates MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2013-04-30 US disclosed
US-20120065370-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2012-03-15 US disclosed
WO-2010133306-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2010-11-25 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-20120065370-A1 PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES DDT, BBOX1, IMPDH2 CTSS 4614/4885CTSK 4497/4885CTSB 4150/4885

“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.