SCHEMBL1644780

SCHEMBL1644780

C[C@](CO)(NC(=O)OCc1ccccc1)c1cc(F)cc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MGLL Q99685 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSS P25774 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
AAK1 Q2M2I8 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SYK P43405 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1455608 0.87 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL26638908 0.81 DHODH (0.48) MEN1KMT2AMGLLSMN1; SMN2L3MBTL1
SCHEMBL30638272 0.81 DHODH (0.48) MEN1KMT2AMGLLSMN1; SMN2L3MBTL1
SCHEMBL16833488 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL16846266 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL12525326 0.81 AAK1 (0.50) MEN1KMT2AMGLLSMN1; SMN2L3MBTL1
SCHEMBL16846299 0.78 AAK1 (0.48) MEN1KMT2AMGLLSMN1; SMN2L3MBTL1
SCHEMBL20803487 0.78 AAK1 (0.48) MEN1KMT2AMGLLSMN1; SMN2L3MBTL1
SCHEMBL3484534 0.78 SMN1; SMN2 (0.47) MEN1KMT2AMGLLSMN1; SMN2L3MBTL1
SCHEMBL567578 0.77 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CTSSNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 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-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER1 MEN1 4770/4885KMT2A 4201/4885MGLL 171/4885

“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.