SCHEMBL1503145

SCHEMBL1503145

COC(=O)c1ncc(C(=O)O)c2c1OC(C)(C)OC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13577658 0.91 MAOB (0.38) MAOBKMT2AMAPK1ALDH1A1MAPT
SCHEMBL15746653 0.89 KMT2A (0.40) MAOBKMT2AMAPK1ALDH1A1MAPT
SCHEMBL1503093 0.83 MAOB (0.38) MAOBKMT2AMAPK1ALDH1A1MAPT
SCHEMBL12398991 0.82 KMT2A (0.48) MAOBKMT2AMAPK1ALDH1A1MAPT
SCHEMBL4913458 0.81 KMT2A (0.56) MAOBKMT2AMAPK1ALDH1A1MAPT
SCHEMBL1503150 0.81 KMT2A (0.47) MAOBKMT2AMAPK1ALDH1A1MAPT
SCHEMBL12444469 0.79 POLB (0.40) KMT2A
SCHEMBL12444440 0.78 MAP4K3 (0.41) MAPK1
SCHEMBL12444456 0.78 MAPT (0.47) KMT2AMAPK1ALDH1A1MAPTTSHR
SCHEMBL22738298 0.77 MAOB (0.34) MAOBKMT2AMAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO claimed
EP-3687538-B1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INST (CA) 2024-04-17 EP disclosed
EP-3687538-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montreal Heart Institute (CA) 2020-08-05 EP disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB MAOB 40/4885KMT2A 1953/4885MAPK1 1638/4885

“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.