SCHEMBL4160269

SCHEMBL4160269

CC(OON)Oc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SLC6A4 P31645 1/20 0.35
IDO1 P14902 2/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8431691 0.83 LDHA (0.50) LDHAMAPTLMNATDP1ALDH1A1
SCHEMBL1920821 0.79 LDHA (0.47) LDHAMAPTLMNATDP1ALDH1A1
SCHEMBL17790005 0.75 LDHA (0.44) LDHAMAPTLMNATDP1ALDH1A1
SCHEMBL8968465 0.75 LDHA (0.48) LDHAMAPTLMNATDP1ALDH1A1
SCHEMBL28617029 0.74 CA2 (0.62) ALDH1A1CA1CA2CA9TSHR
SCHEMBL11578635 0.74 LDHA (0.47) LDHAMAPTLMNATDP1ALDH1A1
SCHEMBL2281906 0.73 ALDH1A3 (0.52) LDHAMAPTLMNATDP1ALDH1A1
SCHEMBL4066156 0.72 LMNA (0.42) LDHAMAPTLMNATDP1ALDH1A1
SCHEMBL18123686 0.72 LDHA (0.41) LDHAMAPTLMNATDP1ALDH1A1
SCHEMBL2870701 0.72 LDHA (0.41) LDHAMAPTLMNATDP1ALDH1A1

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES LDHA 743/4885MAPT 2574/4885LMNA 2591/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES LDHA 743/4885MAPT 2574/4885LMNA 2591/4885

“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.