SCHEMBL135298

SCHEMBL135298

COc1ccc(COC[C@@]2(COS(C)(=O)=O)O[C@H](OC)[C@H](OC)[C@@H]2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.34
P2RX4 Q99571 1/20 0.30
IDO1 P14902 1/20 0.30
AGXT P21549 1/20 0.30
TLR9 Q9NR96 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL136626 0.96 APLNR (0.37) APLNRP2RX4IDO1AGXTTLR9
SCHEMBL1097291 0.89 BCHE (0.36) CA1CA2
SCHEMBL135297 0.89 APLNR (0.34) APLNRCA1CA2
SCHEMBL14511262 0.84 APLNR (0.36) APLNRP2RX4IDO1AGXTTLR9
SCHEMBL136625 0.84 APLNR (0.36) APLNRP2RX4IDO1AGXTTLR9
SCHEMBL1096195 0.80 BCHE (0.39)
SCHEMBL1096197 0.80 BCHE (0.39)
SCHEMBL1097346 0.80 BCHE (0.39)
SCHEMBL130438 0.80 APLNR (0.33) APLNR
SCHEMBL1097290 0.78 BCHE (0.36) IDO1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464106-B2 Oligonucleotides useful for detecting and analyzing nucleic acids of interest EXIQON A/S (DK) 2016-10-11 US disclosed
US-20120157333-A1 OLIGONUCLEOTIDES USEFUL FOR DETECTING AND ANALYZING NUCLEIC ACIDS OF INTEREST EXIQON A/S (DK) 2012-06-21 US disclosed
EP-1446412-B1 NOVEL LNA COMPOSITIONS AND USES THEREOF EXIQON AS (DK) 2012-03-07 EP disclosed
US-20070117144-A1 Oligonucleotides useful for detecting and analyzing nucleic acids of interest EXIQON A/S (DK) 2007-05-24 US disclosed
US-20040219565-A1 Oligonucleotides useful for detecting and analyzing nucleic acids of interest EXIQON A/S (DK) 2004-11-04 US disclosed
EP-1446412-A2 NOVEL LNA COMPOSITIONS AND USES THEREOF Exiqon A/S (DK) 2004-08-18 EP disclosed
US-20030224377-A1 Novel LNA compositions and uses thereof QIAGEN GMBH (DE) 2003-12-04 US disclosed
WO-2003020739-A2 NOVEL LNA COMPOSITIONS AND USES THEREOF EXIQON A/S (DK) 2003-03-13 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 (3 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-20040219565-A1 Oligonucleotides useful for detecting and analyzing nucleic acids of interest UPF1, DCLRE1B, SNRPA1 APLNR 704/4885P2RX4 4469/4885IDO1 4824/4885
US-20030224377-A1 Novel LNA compositions and uses thereof RNGTT, NCL, NSUN2 APLNR 1353/4885P2RX4 3978/4885IDO1 4730/4885
US-20120157333-A1 OLIGONUCLEOTIDES USEFUL FOR DETECTING AND ANALYZING NUCLEIC ACIDS OF INTEREST UPF1, DCLRE1B, SNRPA1 APLNR 704/4885P2RX4 4469/4885IDO1 4824/4885

“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.