SCHEMBL6497003

SCHEMBL6497003

O=C(O)C(O)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CSNK1A1 P48729 1/20 0.39
TYRO3 Q06418 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
FPR2 P25090 3/20 0.38
F2RL1 P55085 5/20 0.37
MTOR P42345 1/20 0.36
ADK P55263 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
TBXAS1 P24557 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL28610444 0.79 KDM4E (0.42) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL1674619 0.79 KDM4E (0.39) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL22645117 0.79 KDM4E (0.46) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL570524 0.78 ADRA2A (0.47) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL29951096 0.78 GRIA1 (0.41) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL6327606 0.78 GRIA1 (0.41) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL21853752 0.77 GRIA1 (0.39) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL21853753 0.77 GRIA1 (0.39) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL11381591 0.77 KDM4E (0.38) KDM4EALDH1A1ADRA2AADRA2BADRA2C
Acetic Acid SCHEMBL31482278 0.76 ADRA2A (0.46) KDM4EALDH1A1ADRA2AADRA2BADRA2C

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-6958402-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER, INC. (US) 2005-10-25 US disclosed
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC. (US) 2004-12-16 US disclosed
EP-1467731-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS Pfizer Limited (GB) 2004-10-20 EP disclosed
US-6713496-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC 2004-03-30 US disclosed
US-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids PFIZER INC. 2003-10-23 US disclosed
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 WO disclosed
US-5756758-A ESTERIFICATION GESELLSCHAFT FUR BIOTECHNOLOGISCHE FORSCHUNG MBH IGBF) (DE) 1998-05-26 US 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-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 KDM4E 4088/4885ALDH1A1 191/4885ADRA2A 1672/4885
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 KDM4E 4132/4885ALDH1A1 217/4885ADRA2A 1685/4885

“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.