SCHEMBL3245566

SCHEMBL3245566

CCCC(CCC)N(CC(=O)OCC)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.68
F2 P00734 5/20 0.68
KLK1 P06870 4/20 0.68
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
TMPRSS15 P98073 11/20 0.40
ACR P10323 1/20 0.38
F10 P00742 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
SCHEMBL3233071 0.91 PRSS1 (0.65) PRSS1F2KLK1TMPRSS15
SCHEMBL3237730 0.90 PRSS1 (0.71) PRSS1F2KLK1KDM4EMEN1
SCHEMBL7314431 0.89 PRSS1 (0.70) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3245875 0.89 PRSS1 (0.70) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3240081 0.88 PRSS1 (0.69) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3236135 0.86 PRSS1 (0.67) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3243498 0.86 PRSS1 (0.67) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3239639 0.86 PRSS1 (0.76) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3242313 0.85 PRSS1 (0.63) PRSS1F2KLK1KDM4EMEN1
SCHEMBL8973614 0.85 PRSS1 (0.65) PRSS1F2KLK1KDM4EMEN1

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.