SCHEMBL5838728

SCHEMBL5838728

COc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.71
PPARG P37231 2/20 0.63
PPARA Q07869 1/20 0.63
DGAT1 O75907 1/20 0.62
CA2 P00918 4/20 0.60
CA1 P00915 3/20 0.60
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57
ALDH1A1 P00352 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
PLK1 P53350 1/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52

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
SCHEMBL7410707 1.00 NPSR1 (0.71) NPSR1PPARGPPARADGAT1CA2
SCHEMBL11509188 0.95 NPSR1 (0.66) NPSR1PPARGPPARADGAT1CA2
SCHEMBL9828979 0.89 NPSR1 (0.57) NPSR1PPARGPPARADGAT1CA2
SCHEMBL9828975 0.89 NPSR1 (0.57) NPSR1PPARGPPARADGAT1CA2
SCHEMBL10659164 0.88 NPSR1 (0.56) NPSR1PPARGPPARADGAT1CA2
SCHEMBL10659171 0.88 NPSR1 (0.56) NPSR1PPARGPPARADGAT1CA2
SCHEMBL15906297 0.87 ALDH1A1 (0.60) NPSR1DGAT1CA2CA1ALDH1A1
SCHEMBL21274384 0.85 CA2 (0.64) NPSR1PPARGPPARADGAT1CA2
SCHEMBL21274381 0.85 CA2 (0.64) NPSR1PPARGPPARADGAT1CA2
SCHEMBL11509003 0.84 NPSR1 (0.68) NPSR1PPARGPPARADGAT1CA2

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
CN-112261939-A Granzyme B directed imaging and therapy 塞托赛特生物制药股份有限公司 2021-01-22 CN disclosed
WO-2018011230-A1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA AGONISTS, METHOD OF PREPARATION AND USES THEREOF UNIVERSITE D'AIX-MARSEILLE (FR) 2018-01-18 WO disclosed
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 NPSR1 194/4885PPARG 3318/4885PPARA 3200/4885

“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.