SCHEMBL5839615

SCHEMBL5839615

CC(C)[C@H](Nc1cc[nH]c(=O)n1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CFD P00746 2/20 0.38
ALDH1A1 P00352 5/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
FPR2 P25090 1/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34

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
SCHEMBL9151029 0.78 ADORA2A (0.33)
SCHEMBL7047603 0.78 ELANE (0.40) ALDH1A1KDM4E
SCHEMBL5293859 0.78 ELANE (0.31)
SCHEMBL29860755 0.75 NR4A2 (0.32) ALDH1A1GAASMN1; SMN2
SCHEMBL3219793 0.75 ADORA2A (0.36) ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL1965199 0.72 ADORA3 (0.43) MAPTALDH1A1GAALMNAHPGD
SCHEMBL26696395 0.72 ALDH1A1 (0.40) MAPTALDH1A1KDM4EKMT2A
SCHEMBL10679044 0.71 GRM5 (0.36) LMNAHPGDKDM4EKMT2A
SCHEMBL2596200 0.70 PTGS2 (0.41) LMNATSHR
SCHEMBL3236321 0.69 LMNA (0.41) MAPTALDH1A1GAALMNAHPGD

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 6 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
EP-1140846-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-10-10 EP disclosed
WO-2000040558-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-07-13 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-20050090546-A1 Aspartic protease inhibitors DPP7, SENP7, DNPEP MAPT 3730/4885CFD 938/4885ALDH1A1 2358/4885

“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.