SCHEMBL7528468

SCHEMBL7528468

CCC(Br)[C@@H](O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 4/20 0.39
MAPT P10636 1/20 0.38
GABRR1 P24046 2/20 0.37
LMNA P02545 1/20 0.37
FFAR3 O14843 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL606890 1.00 SLC22A6 (0.43) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL10780877 0.84 GPR84 (0.44) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL1895728 0.79 SLC22A6 (0.48) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL3064786 0.79 SLC22A6 (0.48) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL10774516 0.78 GPR84 (0.61) SLC22A6GPR84MAPTTSHRTDP1
SCHEMBL2510902 0.77 SLC22A6 (0.46) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL10777996 0.77
SCHEMBL7752611 0.76
SCHEMBL4748392 0.75 MME (0.44) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL16600360 0.75 SLC22A6 (0.43) SLC22A6SMN1; SMN2GPR84MAPTGABRR1

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-20020128213-A1 Sixteen-membered macrolide compounds KOSAN BIOSCIENCES, INC. 2002-09-12 US disclosed
US-20020111317-A1 Sixteen-membered macrolide compounds KOSAN BIOSCIENCES, INC. 2002-08-15 US disclosed
WO-2002032916-A2 SIXTEEN-MEMBERED MACROLIDE COMPOUNDS KOSAN BIOSCIENCES, INC. (US) 2002-04-25 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-20020111317-A1 Sixteen-membered macrolide compounds NOP2, NSUN3, MRPS23 SLC22A6 2145/4885SMN1; SMN2 1841/4885GPR84 1452/4885
US-20020128213-A1 Sixteen-membered macrolide compounds NOP2, NSUN3, MRPS23 SLC22A6 2145/4885SMN1; SMN2 1841/4885GPR84 1452/4885

“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.