SCHEMBL12705544

SCHEMBL12705544

BC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ FKBP1A P62942 2/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MMP2 P08253 2/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33

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
SCHEMBL13920516 1.00 ATM (0.41) ATMALDH1A1FKBP1AKMT2AMEN1
SCHEMBL12705543 0.86 ANPEP (0.50) ALDH1A1FKBP1AKMT2AMEN1MMP2
SCHEMBL4368576 0.85 ATM (0.59) ATMALDH1A1FKBP1AKMT2AMEN1
SCHEMBL12705546 0.84 FKBP1A (0.36) ALDH1A1FKBP1AKMT2AMEN1MAPT
SCHEMBL14377801 0.81 ALDH1A1 (0.57) ATMALDH1A1KMT2AMEN1MMP2
SCHEMBL25109725 0.80 FKBP1A (0.39) ATMALDH1A1FKBP1AKMT2AMEN1
SCHEMBL2202494 0.79 POLB (0.50) ATMALDH1A1FKBP1AKMT2AMEN1
SCHEMBL3041685 0.79 POLB (0.50) ATMALDH1A1FKBP1AKMT2AMEN1
SCHEMBL9635522 0.79 POLB (0.50) ATMALDH1A1FKBP1AKMT2AMEN1
SCHEMBL116396 0.79 POLB (0.50) ATMALDH1A1FKBP1AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919505-B2 Xinafoate salt of a substituted 5-oxazol-2-yl-quinoline compound SCHERING CORPORATION (US) 2011-04-05 — — US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-20080027101-A1 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND SCHERING CORPORATION 2008-01-31 — — 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-20080027101-A1 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND XDH, UPF1, NOX5 ATM 4197/4885ALDH1A1 940/4885FKBP1A 2459/4885

“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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