SCHEMBL15210945

SCHEMBL15210945

C=C(C)CC(O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ TSPO P30536 1/20 0.43
▸ LDHA P00338 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ACHE P22303 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ BCL2A1 Q16548 3/20 0.40
▸ BMP1 P13497 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL15209985 1.00 TDP1 (0.44) TDP1TSPOLDHAMEN1KMT2A
SCHEMBL15215178 0.85 TSHR (0.43) TDP1MEN1KMT2AACHEALDH1A1
SCHEMBL15209869 0.82 APLNR (0.44) TDP1TSPOLDHAACHEALDH1A1
SCHEMBL15209867 0.82 APLNR (0.44) TDP1TSPOLDHAACHEALDH1A1
SCHEMBL15209900 0.74 LDHA (0.50) TDP1TSPOLDHAMEN1KMT2A
SCHEMBL15209971 0.72 LDHA (0.49) TDP1TSPOLDHAMEN1KMT2A
SCHEMBL20472046 0.71 ALDH1A1 (0.52) TDP1LDHAMEN1KMT2AACHE
SCHEMBL3484433 0.70 TDP1 (0.60) TDP1LDHAMEN1KMT2AACHE
SCHEMBL15215173 0.70 ACHE (0.43) TDP1MEN1KMT2AACHEALDH1A1
SCHEMBL20472138 0.69 LDHA (0.45) TDP1LDHAMEN1KMT2AACHE

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-9458177-B2 Oxazolidin-2-one compounds and uses thereof NOVARTIS AG (CH) 2016-10-04 — — US disclosed
EP-2817307-B1 OXAZOLIDIN-2-ONE COMPOUNDS AND USES THEREOF AS PI3KS INHIBITORS NOVARTIS AG (CH) 2016-07-13 — — EP disclosed
EP-2817307-A1 OXAZOLIDIN- 2 -ONE COMPOUNDS AND USES THEREOF AS PI3KS INHIBITORS Novartis AG (CH) 2014-12-31 — — EP disclosed
US-20140378450-A1 OXAZOLIDIN-2-ONE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2014-12-25 — — US disclosed
WO-2013124826-A1 OXAZOLIDIN- 2 -ONE COMPOUNDS AND USES THEREOF AS PI3KS INHIBITORS NOVARTIS AG (CH) 2013-08-29 — — 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-20140378450-A1 OXAZOLIDIN-2-ONE COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TDP1 860/4885TSPO 3134/4885LDHA 1873/4885

“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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