SCHEMBL3242330

SCHEMBL3242330

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.80
F2 P00734 6/20 0.80
KLK1 P06870 4/20 0.80
TMPRSS15 P98073 10/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
ACR P10323 1/20 0.40
F10 P00742 2/20 0.37
SLC22A2 O15244 1/20 0.37
TMPRSS2 O15393 1/20 0.37
PLG P00747 1/20 0.37
F12 P00748 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 1/20 0.37

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
SCHEMBL3241552 0.94 PRSS1 (0.77) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7622619 0.93 PRSS1 (0.75) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3238558 0.93 PRSS1 (0.75) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7526740 0.92 PRSS1 (0.76) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL8609297 0.92 PRSS1 (0.76) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3239695 0.92 PRSS1 (0.76) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3238353 0.91 PRSS1 (0.70) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3245854 0.91 PRSS1 (0.75) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3237750 0.90 PRSS1 (0.80) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7314578 0.90 PRSS1 (0.77) PRSS1F2KLK1TMPRSS15MEN1

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-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-11-05 US disclosed
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-11-05 US disclosed
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 (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-20080009537-A1 Therapeutic Agent for Diabetes Comprising Protease-Inhibiting Compound DPP4, IAPP, DPP7 PRSS1 25/4885F2 805/4885KLK1 298/4885
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 PRSS1 6/4885F2 443/4885KLK1 1233/4885

“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.