SCHEMBL14294201

SCHEMBL14294201

CC[C@]1(C(=O)O)Oc2ccc(OCc3cc(-c4ccc(OS(C)(=O)=O)cc4)no3)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 6/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
NPC1 O15118 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 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
SCHEMBL4907146 0.74 RAB9A (0.49) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1
SCHEMBL14269435 0.74 RAB9A (0.49) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1
SCHEMBL4907154 0.73 RAB9A (0.43) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1
SCHEMBL14269444 0.71 RAB9A (0.44) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1
SCHEMBL14269414 0.70 RAB9A (0.44) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1
SCHEMBL14269418 0.70 RAB9A (0.44) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1
SCHEMBL14294235 0.69 RAB9A (0.47) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1
SCHEMBL14294234 0.69 RAB9A (0.47) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1
SCHEMBL189013 0.65 RAB9A (0.61) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1
SCHEMBL14269453 0.65 RAB9A (0.47) SMN1; SMN2RAB9AL3MBTL1NPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity DR REDDY'S LABORATORIES LIMITED (IN) 2008-02-21 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-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity PPARG, PPARA, PPARD SMN1; SMN2 4709/4885RAB9A 2782/4885L3MBTL1 4836/4885

“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.