SCHEMBL4131150

SCHEMBL4131150

CC(C)(C)OC(=O)OC(=O)[C@@H](N)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ GRM4 Q14833 4/20 0.47
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ SLC7A5 Q01650 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL7989697 0.82 ITGA4 (0.43) ALDH1A1MAPTITGA4ITGB7HTR2A
SCHEMBL11397934 0.82 ALDH1A1 (0.73) ALDH1A1GRM4MAPTNPSR1SLC7A5
SCHEMBL22557986 0.82 ALDH1A1 (0.73) ALDH1A1GRM4MAPTNPSR1SLC7A5
SCHEMBL6935540 0.82 ALDH1A1 (0.73) ALDH1A1GRM4MAPTNPSR1SLC7A5
SCHEMBL10657021 0.81 SLC7A5 (0.42) ALDH1A1NPSR1SLC7A5ALOX15HSD17B10
SCHEMBL503583 0.81 ALDH1A1 (0.58) ALDH1A1GRM4MAPTNPSR1SLC7A5
Hydrochloric Acid SCHEMBL6935538 0.81 ALDH1A1 (0.76) ALDH1A1GRM4MAPTNPSR1SLC7A5
SCHEMBL22972798 0.81 ALDH1A1 (0.58) ALDH1A1GRM4MAPTNPSR1SLC7A5
Hydrochloric Acid SCHEMBL3813837 0.80 ALDH1A1 (0.60) ALDH1A1GRM4MAPTNPSR1SLC7A5
Hydrochloric Acid SCHEMBL2787874 0.80 ALDH1A1 (0.60) ALDH1A1GRM4MAPTNPSR1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527878-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-27 — — US disclosed
US-20160009748-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-01-14 — — US disclosed
US-9096501-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-08-04 — — US disclosed
US-20140343321-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-20 — — US disclosed
US-8759327-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 — — US disclosed
US-20090011055-A1 Plasminogen Activator Inhibitor-1 Inhibitors And Methods Of Use Thereof To Modulate Lipid Metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-01-08 — — 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-20160009748-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM SERPINE1, PLAT, SERPINB1 ALDH1A1 918/4885GRM4 3548/4885MAPT 3350/4885
US-20140343321-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism SERPINE1, PLAT, SERPINB1 ALDH1A1 918/4885GRM4 3548/4885MAPT 3350/4885
US-20090011055-A1 Plasminogen Activator Inhibitor-1 Inhibitors And Methods Of Use Thereof To Modulate Lipid Metabolism SERPINE1, PLAT, SERPINB1 ALDH1A1 918/4885GRM4 3548/4885MAPT 3350/4885

“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.

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