SCHEMBL5839660

SCHEMBL5839660

CC(C)CC(=O)OC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 1/20 0.31
APEX1 P27695 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL1245548 0.86 MMP1 (0.36) MGLLKMT2AATMMMP1MMP2
SCHEMBL917156 0.84 GLA (0.34) MGLLKMT2AATMMMP1MMP2
SCHEMBL3109277 0.83 GLA (0.33) MGLLKMT2AATMMMP1MMP2
SCHEMBL917108 0.83 MMP1 (0.37) MGLLKMT2AATMMMP1MMP2
SCHEMBL2974670 0.81 MMP1 (0.39) MGLLKMT2AATMMMP1MMP2
SCHEMBL4698214 0.80 MAPT (0.35) MGLLKMT2AMEN1LMNACYP3A4
SCHEMBL917125 0.80 MEN1 (0.36) MGLLKMT2AMEN1LMNACYP3A4
SCHEMBL2139612 0.78 MGLL (0.35) MGLL
SCHEMBL20292599 0.77 MGLL (0.33) MGLLKMT2AMEN1LMNACYP3A4
SCHEMBL915937 0.77 MMP1 (0.33) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132420-B2 Aspartic protease inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-07 US disclosed
EP-1140846-B1 ASPARTIC PROTEASE INHIBITORS US GOV HEALTH & HUMAN SERV (US) 2006-04-05 EP disclosed
US-20050090546-A1 Aspartic protease inhibitors GOVERNMENT OF THE USA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-04-28 US disclosed
US-6613764-B1 Compounds such as N,N-dibenzylphenylalanine benzyl ester, used as enzyme inhibitors; prophylaxis of lymphadenopathy associated virus, cancer and malaria THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-09-02 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-20050090546-A1 Aspartic protease inhibitors DPP7, SENP7, DNPEP MGLL 3795/4885KMT2A 4226/4885ATM 3373/4885

“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.