SCHEMBL1307263

SCHEMBL1307263

CCC(C)OP(=O)(O)Cc1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.38
PGK2 P07205 2/20 0.38
MAOB P27338 3/20 0.38
PTGES O14684 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RIPK1 Q13546 1/20 0.36
CA1 P00915 1/20 0.36
MMP2 P08253 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1759926 0.83 PGK1 (0.38) PGK1PGK2IDO1LMNA
SCHEMBL1334895 0.82 FPR2 (0.38) PGK1PGK2ALDH1A1POLBLMNA
SCHEMBL1407856 0.82 TRPA1 (0.42) POLBHPGD
SCHEMBL915155 0.81 FOLH1 (0.47)
SCHEMBL9155895 0.81 SRC (0.41) PGK1PGK2MAOBALDH1A1
SCHEMBL6878860 0.81 IDO1 (0.42) MAOBALDH1A1IDO1AGXTLMNA
SCHEMBL9055030 0.81 PGK1 (0.33) PGK1PGK2
SCHEMBL1680702 0.80 GLA (0.59) PGK1PGK2MAOBALDH1A1MAPT
SCHEMBL17969143 0.80 ACP3 (0.59) PGK1PGK2MAOBMAPTIDO1
SCHEMBL16398832 0.79 PGK1 (0.44) PGK1PGK2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
EP-1745014-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2011-07-06 EP disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 US disclosed
EP-1745014-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105736-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA PGK1 584/4885PGK2 424/4885MAOB 2155/4885

“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.