SCHEMBL1503209

SCHEMBL1503209

COC(=O)c1ncc(NC(=O)Nc2ccc(F)cc2)c(CO)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 7/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 5/20 0.50
HTT P42858 4/20 0.50
MEN1 O00255 4/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.46
LMNA P02545 2/20 0.46
MAPK14 Q16539 4/20 0.44
CASP3 P42574 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL15746727 0.87 EGLN2 (0.45) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL1503205 0.85 CYP1A2 (0.49) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1503207 0.85 EGLN2 (0.46) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL12444364 0.78 ALOX5 (0.40) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL1503187 0.74 ALDH1A1 (0.41) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1503138 0.73 KMT2A (0.48) MAPTKMT2AMEN1KDM4E
SCHEMBL15746683 0.71 KDM4E (0.50) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL1503107 0.71 MEN1 (0.44) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL1503148 0.70 RAB9A (0.44) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL4924419 0.69 RAB9A (0.71) RAB9ANPC1MAPTKMT2AHTT

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 11 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
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
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 RAB9A 3692/4885NPC1 3046/4885MAPT 2577/4885

“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.