SCHEMBL2128295

SCHEMBL2128295

CC(C)Oc1ncc(C(=O)ON=C(N)c2ccc(OCOCC[Si](C)(C)C)c3occc23)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.32
S1PR1 P21453 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
POLB P06746 2/20 0.30
ALDH1A1 P00352 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL10104243 1.00 RAB9A (0.34) RAB9ANPC1S1PR1SMN1; SMN2MAPT
SCHEMBL2128291 0.86 S1PR1 (0.33) S1PR1S1PR3S1PR5
SCHEMBL10104232 0.73 GAA (0.32) RAB9AMAPTALDH1A1
SCHEMBL2127628 0.73 GAA (0.32) RAB9AMAPTALDH1A1
SCHEMBL10104209 0.67 GAA (0.31) RAB9A
SCHEMBL2128412 0.67 GAA (0.31) RAB9A
SCHEMBL12097026 0.65 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12162522 0.65 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12097020 0.65 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12524306 0.65 RAB9A (0.37) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 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-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 RAB9A 2634/4885NPC1 238/4885S1PR1 1/4885

“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.