SCHEMBL3238704

SCHEMBL3238704

CCOC(=O)CC[C@H](NC(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 18/20 0.56
TMPRSS15 P98073 14/20 0.56
F2 P00734 4/20 0.55
KLK1 P06870 4/20 0.55
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7313552 0.91 PRSS1 (0.59) PRSS1TMPRSS15F2KLK1
SCHEMBL3240172 0.91 PRSS1 (0.59) PRSS1TMPRSS15F2KLK1
SCHEMBL7306248 0.91 PRSS1 (0.59) PRSS1TMPRSS15F2KLK1
SCHEMBL7314636 0.91 PRSS1 (0.59) PRSS1TMPRSS15F2KLK1
Butane SCHEMBL3238160 0.90 PRSS1 (0.56) PRSS1TMPRSS15F2KLK1
Butane SCHEMBL3238792 0.90 PRSS1 (0.56) PRSS1TMPRSS15F2KLK1
SCHEMBL3238646 0.89 PRSS1 (0.53) PRSS1TMPRSS15F2KLK1KDM4E
SCHEMBL3238801 0.89 PRSS1 (0.53) PRSS1TMPRSS15F2KLK1KDM4E
SCHEMBL8846583 0.89 PRSS1 (0.49) PRSS1TMPRSS15F2KLK1KDM4E
Acetic Acid SCHEMBL8904308 0.89 PRSS1 (0.49) PRSS1TMPRSS15F2KLK1KDM4E

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 25/4885TMPRSS15 21/4885F2 805/4885

“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.