SCHEMBL9554659

SCHEMBL9554659

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.61
PSMB5 P28074 1/20 0.55
MME P08473 1/20 0.53
GPR132 Q9UNW8 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ITGB1 P05556 3/20 0.50
ITGA5 P08648 2/20 0.50
ACE P12821 1/20 0.50
FOLH1 Q04609 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
ITGA4 P13612 2/20 0.49
PDE5A O76074 1/20 0.49
USP30 Q70CQ3 1/20 0.49
ITGB7 P26010 1/20 0.49
FTO Q9C0B1 2/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL8013304 0.95 PSMB5 (0.59) GRIA1PSMB5GPR132ITGB1ITGA5
SCHEMBL21623659 0.92 PSMB5 (0.62) PSMB5MMEGPR132CA2ACE
SCHEMBL9554481 0.92 PSMB5 (0.62) PSMB5MMEGPR132CA2ACE
SCHEMBL12015221 0.85 PSMB5 (0.51) GRIA1PSMB5GPR132ITGB1ITGA5
SCHEMBL7959534 0.84 PSMB5 (0.53) GRIA1PSMB5GPR132ITGB1ITGA5
SCHEMBL12004867 0.84 GRIA1 (0.56) GRIA1PSMB5USP30
SCHEMBL3938112 0.84 GRIA1 (0.56) GRIA1PSMB5USP30
SCHEMBL19899634 0.84 FPR2 (0.56) PSMB5GPR132CA1CA2ITGB1
SCHEMBL19899636 0.84 FPR2 (0.56) PSMB5GPR132CA1CA2ITGB1
SCHEMBL8513905 0.83 PSMB5 (0.58) PSMB5GPR132CA1CA2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102807600-A Amino acid modified spinacin derivative and preparation method and application thereof UNIV CAPITAL MEDICAL 2012-12-05 CN disclosed
EP-2495323-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE Daiichi Sankyo Company, Limited (JP) 2012-09-05 EP disclosed
US-20120220649-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
WO-2011052715-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE 第一三共株式会社 (JP) 2011-05-05 WO disclosed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP 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-20120220649-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE POLM, POLN, PNKP GRIA1 4220/4885PSMB5 872/4885MME 1981/4885

“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.