SCHEMBL16728162

SCHEMBL16728162

CCCC/C(=C\C(=O)OCC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ CES2 O00748 4/20 0.49
▸ CES1 P23141 4/20 0.49
▸ PTGS2 P35354 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ NAAA Q02083 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
SCHEMBL16728161 0.95 CES2 (0.50) MAPTCES2CES1LMNAMEN1
SCHEMBL16728116 0.91 MAPT (0.51) MAPTCES2CES1PTGS2LMNA
SCHEMBL24158280 0.86 MAPT (0.47) MAPTPTGS2LMNAMEN1KMT2A
SCHEMBL24451168 0.85 SMN1; SMN2 (0.49) MAPTPTGS2MEN1KMT2AALDH1A1
SCHEMBL30040031 0.84 MAPT (0.50) MAPTCES2CES1PTGS2LMNA
SCHEMBL6524082 0.84 MAPT (0.50) MAPTCES2CES1PTGS2LMNA
SCHEMBL6524085 0.84 MAPT (0.50) MAPTCES2CES1PTGS2LMNA
SCHEMBL17451351 0.84 PDPK1 (0.54) MAPTALDH1A1NPC1
SCHEMBL17451350 0.84 PDPK1 (0.54) MAPTALDH1A1NPC1
SCHEMBL24451167 0.83 LMNA (0.49) MAPTPTGS2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371296-B2 Bicyclic 1,3,4-oxadiazole derivatives as sphingosine-1-phosphate receptors' modulators ALLERGAN, INC. (US) 2016-06-21 — — US disclosed
US-9371296-B2 Bicyclic 1,3,4-oxadiazole derivatives as sphingosine-1-phosphate receptors' modulators ALLERGAN, INC. (US) 2016-06-21 — — US disclosed
US-20160137616-A1 BICYCLIC 1,3,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTORS' MODULATORS ALLERGAN, INC. 2016-05-19 — — US disclosed
US-20160137616-A1 BICYCLIC 1,3,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTORS' MODULATORS ALLERGAN, INC. 2016-05-19 — — US disclosed
WO-2015073140-A1 1,3,4-ALKENYL OXADIAZOLE AMINO ACID DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTORS' MODULATORS ALLERGAN, INC. (US) 2015-05-21 — — 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 (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-20160137616-A1 BICYCLIC 1,3,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTORS' MODULATORS S1PR3, S1PR1, S1PR4 MAPT 3562/4885CES2 2696/4885CES1 1017/4885

“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.

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