SCHEMBL3237883

SCHEMBL3237883

C=CCN(Cc1cccc(C(=O)OCC)c1)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.72
F2 P00734 6/20 0.72
KLK1 P06870 4/20 0.72
TMPRSS15 P98073 8/20 0.47
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
F10 P00742 2/20 0.38
MEP1B Q16820 1/20 0.38

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
SCHEMBL3240254 0.92 PRSS1 (0.79) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3243442 0.85 PRSS1 (0.73) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3245051 0.84 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL7311244 0.84 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3240107 0.84 PRSS1 (0.82) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL13431862 0.83 PRSS1 (0.82) PRSS1F2KLK1TMPRSS15KDM4E
Acetic Acid SCHEMBL7312877 0.82 PRSS1 (0.96) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3245689 0.82 PRSS1 (0.83) PRSS1F2KLK1TMPRSS15KDM4E
Acetic Acid SCHEMBL7311943 0.82 PRSS1 (0.96) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3238583 0.82 PRSS1 (0.79) PRSS1F2KLK1TMPRSS15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671057-B2 Therapeutic agent for type II diabetes comprising protease-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2010-03-02 US disclosed
US-20080009537-A1 Therapeutic Agent for Diabetes Comprising Protease-Inhibiting Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 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 (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-20080009537-A1 Therapeutic Agent for Diabetes Comprising Protease-Inhibiting Compound DPP4, IAPP, DPP7 PRSS1 25/4885F2 805/4885KLK1 298/4885

“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.