SCHEMBL389034

SCHEMBL389034

COc1ccc(CN(CC(=O)O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 2/20 0.54
ACHE P22303 1/20 0.51
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LPAR1 Q92633 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
SNCA P37840 1/20 0.46
ATM Q13315 1/20 0.46
FABP7 O15540 1/20 0.46

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
SCHEMBL2787581 0.89 CCR6 (0.50) TSHRTDP1ALDH1A1NPSR1HTT
SCHEMBL4668991 0.86 TSHR (0.54) TSHRTDP1ACHEALDH1A1NPSR1
SCHEMBL16295819 0.85 TSHR (0.51) TSHRTDP1ACHEALDH1A1NPSR1
SCHEMBL391872 0.84 TSHR (0.50) TSHRTDP1ACHEALDH1A1NPSR1
SCHEMBL21591698 0.84 CCR6 (0.44) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL393788 0.83 TSHR (0.49) TSHRTDP1ACHEALDH1A1NPSR1
SCHEMBL801192 0.81 CCR6 (0.54) TDP1ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL16272906 0.81 TSHR (0.49) TSHRTDP1ACHEALDH1A1NPSR1
SCHEMBL392054 0.81 TSHR (0.49) TSHRTDP1ACHEALDH1A1NPSR1
SCHEMBL8030776 0.81 CCR6 (0.54) TSHRTDP1ACHEALDH1A1NPSR1

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-8334284-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-18 US disclosed
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 US disclosed
US-8101601-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders BAYER HELTHCARE AG 2011-02-10 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 (2 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-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS PLG, AADAC, DNPEP TSHR 3674/4885TDP1 619/4885ACHE 2072/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP TSHR 3674/4885TDP1 619/4885ACHE 2072/4885

“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.