SCHEMBL4801314

SCHEMBL4801314

CCC(CC)(NC(=O)c1cccc(Cl)c1N)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HPGD P15428 3/20 0.37
P2RX1 P51575 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KLKB1 P03952 1/20 0.35
F2R P25116 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14036519 0.82 L3MBTL1 (0.50) TAS1R3TAS1R1TAS1R2HPGDPOLB
SCHEMBL4803441 0.80 MAPT (0.41) TAS1R3TAS1R1TAS1R2HPGDP2RX1
SCHEMBL13958734 0.78 ALDH1A1 (0.51) HPGDP2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13754086 0.75 HPGD (0.51) TAS1R3TAS1R1TAS1R2HPGDPOLB
SCHEMBL30357009 0.73 PLK1 (0.49) TAS1R3TAS1R1TAS1R2HPGDP2RX7
SCHEMBL2062517 0.73 PLK1 (0.49) TAS1R3TAS1R1TAS1R2HPGDP2RX7
SCHEMBL29016414 0.71 HDAC8 (0.47) HPGDP2RX7POLBCYP1A2CYP2C19
SCHEMBL13181077 0.70 ALDH1A1 (0.42) TAS1R3TAS1R1TAS1R2HPGDPOLB
SCHEMBL4801317 0.69 HPGD (0.42) TAS1R3TAS1R1TAS1R2HPGDP2RX7
SCHEMBL733334 0.67 CYP1A2 (0.74) HPGDPOLBCYP1A2CYP2C19ALDH1A1

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 9 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-1265907-B9 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-05-09 EP disclosed
EP-1265907-B1 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-01-03 EP 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 TAS1R3 2543/4885TAS1R1 1146/4885TAS1R2 2466/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 TAS1R3 2936/4885TAS1R1 1626/4885TAS1R2 2855/4885

“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.