SCHEMBL4800372

SCHEMBL4800372

CCOP(=O)(COC(=O)c1cccc(Br)c1OC)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
F2R P25116 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LCLAT1 Q6UWP7 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CLEC4M Q9H2X3 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL27603270 0.84 KMT2A (0.42) TSHRKMT2APOLBMEN1HPGD
SCHEMBL670404 0.83 TSHR (0.58) TSHRKMT2APOLBF2RMEN1
SCHEMBL4805072 0.79 NPC1 (0.51) TSHRKMT2AMAPTALDH1A1HPGD
SCHEMBL184184 0.74 LMNA (0.48) TSHRKMT2APOLBMEN1ALDH1A1
SCHEMBL4800366 0.73 LCLAT1 (0.36) KMT2APOLBF2RMEN1MAPT
SCHEMBL23773427 0.72 TSHR (0.68) TSHRKMT2APOLBMEN1USP2
SCHEMBL17978143 0.70 TSHR (0.65) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL2486632 0.70 CTSD (0.56) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL6692010 0.70 TSHR (0.54) TSHRKMT2APOLBF2RMEN1
SCHEMBL11678098 0.70 TSHR (0.63) TSHRKMT2APOLBMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371739-B2 Aryl fructose-1,6-bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. (US) 2008-05-13 US disclosed
EP-1607401-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors Metabasis Therapeutics, Inc. (US) 2005-12-21 EP disclosed
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors BOOKSER BRETT C (US) 2005-08-11 US disclosed
US-6919322-B2 Phenyl Phosphonate Fructose-1,6-Bisphosphatase Inhibitors METABASIS THERAPEUTICS, INC. (US) 2005-07-19 US disclosed
EP-1265907-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS Metabasis Therapeutics, Inc. (US) 2002-12-18 EP disclosed
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. 2002-04-04 US disclosed
WO-2001066553-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS, INC. (US) 2001-09-13 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 (2 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-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors FBP1, SLC5A1, G6PC1 TSHR 2670/4885KMT2A 3255/4885POLB 4383/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 TSHR 2569/4885KMT2A 3119/4885POLB 4402/4885

“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.