SCHEMBL4630116

SCHEMBL4630116

CCOC(=O)c1cc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1-c1c2ccc(=O)cc-2oc2cc(OCC=O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 9/20 0.38
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA12 O43570 6/20 0.38
PTGER3 P43115 2/20 0.37
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ESR1 P03372 1/20 0.35
CA14 Q9ULX7 2/20 0.34
FKBP1A P62942 2/20 0.34
CA7 P43166 1/20 0.34
CXCR2 P25025 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL4631207 0.96 PTGER3 (0.37) CA9CA1CA2CA12PTGER3
SCHEMBL4630113 0.90 CA9 (0.36) CA9CA1CA2CA12PTGER3
SCHEMBL4630833 0.89 ALDH1A1 (0.38) CA9CA1CA2CA12PTGER3
SCHEMBL4631204 0.85 PTGER3 (0.35) CA9CA1CA2CA12PTGER3
SCHEMBL4937655 0.85 ALDH1A1 (0.37) CA9CA1CA2CA12PTGER3
SCHEMBL4631634 0.84 ALDH1A1 (0.38) CA9CA1CA2CA12PTGER3
SCHEMBL25941924 0.74 CA9 (0.52) CA9CA1CA2CA12PTGER3
SCHEMBL21974831 0.73 ABCB1 (0.44) MAPTESR1ALDH1A1HPGDKDM4E
SCHEMBL28520428 0.73 ABCB1 (0.48) MAPTESR1ALDH1A1HPGDKDM4E
SCHEMBL4630027 0.72 CA9 (0.46) CA9CA1CA2CA12MAPT

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-20080275215-A1 Fluorescein-Based Compounds And Their Use For Peptide Synthesis COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-11-06 US disclosed
EP-1749870-B1 Fluorescein-based compounds and their use for peptide synthesis COMMISSARIAT ENERGIE ATOMIQUE (FR) 2008-05-14 EP disclosed
EP-1749870-A1 Fluorescein-based compounds and their use for peptide synthesis COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-02-07 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-20080275215-A1 Fluorescein-Based Compounds And Their Use For Peptide Synthesis DNPEP, ANPEP, PEPD CA9 1617/4885CA1 1158/4885CA2 2196/4885

“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.