SCHEMBL2812253

SCHEMBL2812253

CC(=O)OC1O[C@H](C(C)OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.45
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX1 P07099 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL780227 1.00 NT5E (0.45) NT5EPTPN2PTPN1POLBMAPT
SCHEMBL781724 1.00 NT5E (0.45) NT5EPTPN2PTPN1POLBMAPT
SCHEMBL779104 0.91 LGALS3 (0.44) NT5EPTPN2PTPN1POLBMAPT
SCHEMBL383198 0.91 LGALS3 (0.44) NT5EPTPN2PTPN1POLBMAPT
SCHEMBL6098797 0.89 LMNA (0.38) PTPN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL881993 0.89 LMNA (0.38) PTPN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL13134673 0.89 LMNA (0.38) PTPN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL22742954 0.89 LMNA (0.38) PTPN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL31472992 0.89 LMNA (0.38) PTPN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL882327 0.89 LMNA (0.38) PTPN1KMT2ASMN1; SMN2NPC1TP53

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
EP-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 EP disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 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-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR NT5E 19/4885PTPN2 1424/4885PTPN1 1080/4885

“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.