SCHEMBL2432444

SCHEMBL2432444

COC(=O)c1nn(C(C)=O)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.74
PLAU P00749 6/20 0.74
F2 P00734 5/20 0.74
KLKB1 P03952 1/20 0.50
CTRB1 P17538 1/20 0.50

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
SCHEMBL4476722 0.86 ELANE (0.72) ELANEPLAUF2KLKB1CTRB1
SCHEMBL3452457 0.85 ELANE (0.70) ELANEPLAUF2KLKB1CTRB1
SCHEMBL2638010 0.82 ELANE (0.65) ELANEPLAUF2
SCHEMBL1563104 0.81 KDM4E (0.66) ELANEPLAUF2
SCHEMBL6113809 0.81 ELANE (0.69) ELANEPLAUF2
SCHEMBL31302274 0.81 KDM4E (0.66) ELANEPLAUF2
SCHEMBL1079201 0.79 ELANE (0.62) ELANEPLAUF2
SCHEMBL1078543 0.79 ELANE (0.62) ELANEPLAUF2KLKB1CTRB1
SCHEMBL8111559 0.79 ELANE (0.62) ELANEPLAUF2
SCHEMBL26204752 0.79 ELANE (0.62) ELANEPLAUF2

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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
CN-100471838-C VLA-4 inhibitors DAIICHI SEIYAKU CO (JP) 2009-03-25 CN disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 CN disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 CN disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 CN disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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 (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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ELANE 766/4885PLAU 3789/4885F2 2836/4885

“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.