SCHEMBL3245051

SCHEMBL3245051

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 1.00
F2 P00734 5/20 1.00
KLK1 P06870 4/20 1.00
TMPRSS15 P98073 11/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
ACR P10323 1/20 0.39
SLC22A2 O15244 1/20 0.36
TMPRSS2 O15393 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
F12 P00748 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36

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
SCHEMBL7311244 1.00 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15MEN1
Acetic Acid SCHEMBL7311943 0.98 PRSS1 (0.96) PRSS1F2KLK1TMPRSS15MEN1
Acetic Acid SCHEMBL7312877 0.98 PRSS1 (0.96) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL1650235 0.96 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7189654 0.93 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7189652 0.93 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7191624 0.92 PRSS1 (0.85) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7191629 0.92 PRSS1 (0.85) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL20008637 0.91 PRSS1 (0.84) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3245689 0.91 PRSS1 (0.83) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP claimed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP claimed
US-9655879-B2 Heteroarylcarboxylic acid ester derivative EA PHARMA CO., LTD. (JP) 2017-05-23 US disclosed
US-9655879-B2 Heteroarylcarboxylic acid ester derivative EA PHARMA CO., LTD. (JP) 2017-05-23 US disclosed
US-9346821-B2 Heterocyclic carboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2016-05-24 US disclosed
US-9346821-B2 Heterocyclic carboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2016-05-24 US disclosed
US-20160058734-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2016-03-03 US disclosed
US-20160058734-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2016-03-03 US disclosed
US-9227949-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2016-01-05 US disclosed
US-9227949-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2016-01-05 US disclosed
US-9115107-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2015-08-25 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-7671057-B2 Therapeutic agent for type II diabetes comprising protease-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2010-03-02 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
US-20080009537-A1 Therapeutic Agent for Diabetes Comprising Protease-Inhibiting Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
US-20080009537-A1 Therapeutic Agent for Diabetes Comprising Protease-Inhibiting Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1815865-A1 THERAPEUTIC AGENT FOR DIABETES COMPRISING PROTEASE-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-08 EP disclosed
EP-1815865-A1 THERAPEUTIC AGENT FOR DIABETES COMPRISING PROTEASE-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-08 EP disclosed
US-6388122-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 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-20160058734-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 PRSS1 10/4885F2 705/4885KLK1 2128/4885

“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.