SCHEMBL1503360

SCHEMBL1503360

COC(=O)c1ncc(CN(CCOCc2ccccc2)CCc2ccc(F)cc2)c2c1OC(C)(C)OC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A5 Q15758 1/20 0.33
FNTA P49354 1/20 0.32
PGGT1B P53609 1/20 0.32
HCRTR2 O43614 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 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
SCHEMBL1503210 0.81 PTPN1 (0.38) BCHEMEN1MAPK1KMT2A
SCHEMBL1503131 0.80 BCHE (0.39) BCHEPPARGPPARACA12CA1
SCHEMBL1503245 0.77 KMT2A (0.43) MEN1MAPK1KMT2A
SCHEMBL30193078 0.76 KMT2A (0.40) MEN1MAPK1KMT2AMMP1MMP13
SCHEMBL1503189 0.76 KMT2A (0.40) MEN1MAPK1KMT2AMMP1MMP13
SCHEMBL1503248 0.74 ALDH1A1 (0.39) MAPK1KMT2AMMP2
SCHEMBL30193010 0.74 ALDH1A1 (0.39) MAPK1KMT2AMMP2
SCHEMBL1503192 0.74 ALDH1A1 (0.40) CA1CA2MAPK1KMT2A
SCHEMBL4316603 0.73 PTPN1 (0.38) BCHEMEN1MAPK1KMT2A
SCHEMBL15746784 0.72 BCHE (0.37) BCHEPPARGPPARAMEN1MAPK1

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 8 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 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

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 BCHE 809/4885PPARG 3257/4885PPARA 3042/4885

“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.