SCHEMBL4460239

SCHEMBL4460239

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)N(C)C)C(=O)CF

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CTSB P07858 5/20 0.55
CTSL P07711 2/20 0.55
CTSS P25774 2/20 0.55
LMNA P02545 1/20 0.53
CTSK P43235 4/20 0.52
CASP3 P42574 4/20 0.49
CASP1 P29466 2/20 0.49
CASP9 P55211 2/20 0.49
CASP6 P55212 2/20 0.49
CASP8 Q14790 2/20 0.49
CASP4 P49662 1/20 0.49
CASP5 P51878 1/20 0.49
CASP10 Q92851 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4466585 0.92 CASP3 (0.54) MEN1KMT2ACTSBCTSLCTSS
SCHEMBL13914077 0.92 CASP3 (0.54) MEN1KMT2ACTSBCTSLCTSS
SCHEMBL4470141 0.88 CTSB (0.56) MEN1KMT2ACTSBCTSLCTSS
SCHEMBL4473633 0.88 CTSK (0.49) MEN1KMT2ACTSBCTSLCTSS
SCHEMBL4467248 0.86 CTSK (0.54) CTSBCTSLCTSSCTSKCASP3
SCHEMBL4466886 0.85 CTSK (0.58) CTSBCTSLCTSSCTSK
SCHEMBL4467228 0.82 CASP3 (0.55) CTSBCTSLCTSSCTSKCASP3
SCHEMBL18114521 0.81 MEN1 (0.59) MEN1KMT2ACTSBCTSLCTSS
SCHEMBL18114520 0.81 MEN1 (0.59) MEN1KMT2ACTSBCTSLCTSS
SCHEMBL23613622 0.81 CASP3 (0.56) MEN1KMT2ACTSBCTSLCTSS

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504382-B2 Protease inhibitors for coronaviruses and SARS-CoV and the use thereof CYTOVIA, INC. (US) 2009-03-17 US claimed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 US claimed
EP-1628674-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF Cytovia, Inc. (US) 2006-03-01 EP claimed
WO-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 WO claimed
US-7504382-B2 Protease inhibitors for coronaviruses and SARS-CoV and the use thereof CYTOVIA, INC. (US) 2009-03-17 US disclosed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 US disclosed
EP-1628674-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF Cytovia, Inc. (US) 2006-03-01 EP disclosed
WO-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 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-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF ACE, ACE2, TMPRSS2 MEN1 4651/4885KMT2A 4306/4885CTSB 32/4885

“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.