SCHEMBL3237996

SCHEMBL3237996

C=CCN(C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)[C@H](CCC(=O)OCC)C(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.69
F2 P00734 5/20 0.69
KLK1 P06870 4/20 0.69
TMPRSS15 P98073 11/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
ACR P10323 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL3237989 1.00 PRSS1 (0.69) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3238499 0.92 PRSS1 (0.71) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3240141 0.92 PRSS1 (0.71) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3237754 0.89 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3237746 0.89 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL5574495 0.89 F2 (0.54) PRSS1F2KLK1F10
SCHEMBL5574490 0.89 F2 (0.54) PRSS1F2KLK1F10
SCHEMBL3245124 0.88 PRSS1 (0.73) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3241884 0.88 PRSS1 (0.66) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3237790 0.88 PRSS1 (0.68) 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.