SCHEMBL7413013

SCHEMBL7413013

O=C(/N=C(\NCCC[C@H]1C(=O)N[C@@H]1C(=O)O)NC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
TDO2 P48775 2/20 0.43
HTT P42858 1/20 0.41
TPSAB1 Q15661 4/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
TGM2 P21980 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
NAAA Q02083 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7384402 1.00 IDO1 (0.43) IDO1TDO2HTTTPSAB1KEAP1
SCHEMBL7384409 1.00 IDO1 (0.43) IDO1TDO2HTTTPSAB1KEAP1
SCHEMBL7412436 1.00 IDO1 (0.43) IDO1TDO2HTTTPSAB1KEAP1
SCHEMBL7412445 1.00 IDO1 (0.43) IDO1TDO2HTTTPSAB1KEAP1
SCHEMBL7412431 1.00 IDO1 (0.43) IDO1TDO2HTTTPSAB1KEAP1
SCHEMBL13302789 0.93 IDO1 (0.42) IDO1TDO2HTTTPSAB1KEAP1
SCHEMBL7438697 0.92 IDO1 (0.41) IDO1TDO2HTTTPSAB1KEAP1
SCHEMBL7521279 0.92 IDO1 (0.41) IDO1TDO2HTTTPSAB1KEAP1
SCHEMBL7438694 0.92 IDO1 (0.41) IDO1TDO2HTTTPSAB1KEAP1
SCHEMBL7315580 0.85 CTSL (0.46) IDO1TDO2HTTTPSAB1KEAP1

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-5175283-A Enzyme inhibitors for antitrypsin or antithrombin as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US claimed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 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 (3 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD IDO1 1114/4885TDO2 569/4885HTT 3188/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD IDO1 1114/4885TDO2 569/4885HTT 3188/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD IDO1 1114/4885TDO2 569/4885HTT 3188/4885

“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.