SCHEMBL1839480

SCHEMBL1839480

CCOC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
PLAU P00749 7/20 0.53
HPN P05981 7/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALB P02768 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP12 P39900 2/20 0.42

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
SCHEMBL1839478 1.00 ITGB3 (0.56) ITGB3ITGA2BPLAUHPNALDH1A1
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL2853451 0.92 ITGB3 (0.57) ITGB3ITGA2BPLAUHPNALDH1A1
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL324561 0.92 ITGB3 (0.57) ITGB3ITGA2BPLAUHPNALDH1A1
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL11880215 0.91 ITGB3 (0.56) ITGB3ITGA2BPLAUHPNALDH1A1
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL1034821 0.91 ITGB3 (0.56) ITGB3ITGA2BPLAUHPNALDH1A1
SCHEMBL1244355 0.89 ITGB3 (0.60) ITGB3ITGA2BPLAUHPNALDH1A1
SCHEMBL17318886 0.88 ITGB3 (0.54) ITGB3ITGA2BPLAUHPNALDH1A1
SCHEMBL1509766 0.87 ITGB3 (0.71) ITGB3ITGA2BPLAUHPNTDP1
Hydrochloric Acid SCHEMBL7319933 0.87 ITGB3 (0.59) ITGB3ITGA2BPLAUHPNALDH1A1
SCHEMBL1509767 0.87 ITGB3 (0.71) ITGB3ITGA2BPLAUHPNTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 US disclosed
WO-2013087785-A2 BOWMAN-BIRK PROTEASE INHIBITOR (BBI) BINDING PEPTIDES, AND USES THEREOF IN THE SEPARATION, DETECTION OR PURIFICATION OF BBI UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2013-06-20 WO disclosed
EP-2604624-A1 Bowman-Birk protease Inhibitor (BBI) binding peptides, and uses thereof in the separation, detection or purification of BBI. University College Dublin National University Of Ireland, Dublin (IE) 2013-06-19 EP disclosed
EP-2036920-B1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-18 EP disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US disclosed
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same SEIKAGAKU CORPORATION (JP) 2009-05-28 US disclosed
EP-2036920-A1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2009-03-18 EP disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP 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-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB ITGB3 3742/4885ITGA2B 3231/4885PLAU 527/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE ITGB3 3142/4885ITGA2B 3161/4885PLAU 469/4885

“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.