SCHEMBL6463219

SCHEMBL6463219

O=C(O)CC(Br)CCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.45
CYP2C9 P11712 3/20 0.45
MMP13 P45452 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL6465759 0.84 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6466773 0.83 FFAR1 (0.46) MMP12MMP13MEN1KMT2AMMP2
SCHEMBL6465120 0.82 MME (0.49) CYP2C9MEN1CYP2D6CYP2C19KMT2A
SCHEMBL6460810 0.81 MMP12 (0.68) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6465824 0.81 MMP12 (0.46) MMP12CYP2C9MMP13MEN1CYP2D6
SCHEMBL11284318 0.80 MMP12 (0.58) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6467442 0.79 S1PR2 (0.63) MMP12CYP2C9MMP13MEN1CYP2D6
SCHEMBL7621975 0.79 GAA (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6462808 0.79 FFAR1 (0.50) MMP12MMP13MMP2MMP9FFAR1
SCHEMBL4984859 0.74 S1PR2 (0.47) MMP12CYP2C9MMP13MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 EP 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 MMP12 132/4885CYP2C9 253/4885MMP13 49/4885

“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.