SCHEMBL5389779

SCHEMBL5389779

CCC(C)C(Br)(CC)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.39
FDPS P14324 4/20 0.39
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
METAP1 P53582 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
ANPEP P15144 4/20 0.32
ERAP1 Q9NZ08 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.31
GCLC P48506 1/20 0.31

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
SCHEMBL8522272 0.79 LAP3 (0.41) LAP3FDPSMETAP1MMP1MMP2
SCHEMBL19212084 0.73 LAP3 (0.39) LAP3FDPSMETAP1MMP1MMP2
SCHEMBL3895715 0.71 LMNA (0.43) LAP3FDPSMETAP1MMP1MMP2
SCHEMBL8064553 0.71 FDPS (0.33) LAP3FDPSMMP1MMP2MMP3
SCHEMBL6516485 0.71 FDPS (0.33) LAP3FDPSMMP1MMP2MMP3
SCHEMBL8383008 0.70 LMNA (0.42) LAP3FDPSMMP1MMP2MMP3
SCHEMBL2990247 0.68 MMP1 (0.34) LAP3FDPSMMP1MMP2MMP3
SCHEMBL4828705 0.67 FDPS (0.40) FDPS
SCHEMBL6633665 0.67 LAP3 (0.34) LAP3FDPS
Phosphoric Acid SCHEMBL5462397 0.67 LAP3 (0.38) LAP3FDPSMETAP1MMP1MMP2

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
CN-114315704-A Bipyridine compound and synthesis method and application thereof 西安交通大学 2022-04-12 CN disclosed
EP-3802547-A1 PROCESS FOR PRODUCING COMPOUNDS CONTAINING AN OXAZOLOPYRIDINONE FUNCTIONAL GROUP Biocidal Alternative Solutions (BE) 2021-04-14 EP disclosed
US-7160836-B2 Materials comprising organic groups containing sulphur and phosphorous bonded to a mineral oxide via oxygen atoms INSTITUT FRANCOIS DU PETROLE (FR) 2007-01-09 US disclosed
US-20060014635-A1 Materials comprising organic groups containing sulphur and phosphorous bonded to a mineral oxide via oxygen atoms FORESTIERE ALAIN 2006-01-19 US disclosed
US-20020128150-A1 Materials comprising organic groups containing sulphur and phosphorous bonded to a mineral oxide via oxygen atoms INSTITUT FRANCAIS DU PETROLE (FR) 2002-09-12 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 (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-20060014635-A1 Materials comprising organic groups containing sulphur and phosphorous bonded to a mineral oxide via oxygen atoms AP2M1, OPRM1, AP3M1 LAP3 4447/4885FDPS 2516/4885ALDH1A1 2909/4885

“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.