SCHEMBL12705543

SCHEMBL12705543

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.50
▸ MMP2 P08253 2/20 0.50
▸ FKBP1A P62942 2/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PPM1B O75688 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PPP1CC P36873 1/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32

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
SCHEMBL12705544 0.86 ATM (0.41) ANPEPMMP2FKBP1AKMT2AMEN1
SCHEMBL13920516 0.86 ATM (0.41) ANPEPMMP2FKBP1AKMT2AMEN1
SCHEMBL12705546 0.83 FKBP1A (0.36) FKBP1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL8283537 0.80 MMP2 (0.46) ANPEPMMP2FKBP1AKMT2AMEN1
SCHEMBL16350377 0.80 MMP2 (0.46) ANPEPMMP2FKBP1AKMT2AMEN1
SCHEMBL29689646 0.80 MMP2 (0.46) ANPEPMMP2FKBP1AKMT2AMEN1
SCHEMBL3068204 0.80 MMP2 (0.46) ANPEPMMP2FKBP1AKMT2AMEN1
SCHEMBL4458704 0.80 MMP2 (0.46) ANPEPMMP2FKBP1AKMT2AMEN1
SCHEMBL14288714 0.79 MMP2 (0.42) ANPEPMMP2FKBP1ASMYD3KMT2A
SCHEMBL15211968 0.79 MEN1 (0.53) ANPEPMMP2FKBP1ASMYD3KMT2A

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-7919505-B2 Xinafoate salt of a substituted 5-oxazol-2-yl-quinoline compound SCHERING CORPORATION (US) 2011-04-05 — — 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 ANPEP 3335/4885MMP2 3125/4885FKBP1A 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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