SCHEMBL7065697

SCHEMBL7065697

CSC(=S)O[C@H]1[C@H](F)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.56
NT5E P21589 3/20 0.53
TYMP P19971 9/20 0.51
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
AHCY P23526 2/20 0.43
PDE2A O00408 1/20 0.42
NADK O95544 1/20 0.42

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
SCHEMBL7065699 1.00 ADORA1 (0.56) ADORA1NT5ETYMPP2RX3P2RX4
SCHEMBL3318862 0.83 NT5E (0.73) ADORA1NT5ETYMPPDE2A
SCHEMBL6271787 0.83 NT5E (0.73) ADORA1NT5ETYMPPDE2A
SCHEMBL6271785 0.83 NT5E (0.73) ADORA1NT5ETYMPPDE2A
SCHEMBL6267926 0.83 ADORA1 (0.53) ADORA1NT5ETYMPP2RX3P2RX4
SCHEMBL7069141 0.82 TYMP (0.51) ADORA1NT5ETYMP
SCHEMBL7069143 0.82 TYMP (0.51) ADORA1NT5ETYMP
SCHEMBL8610210 0.80 ADORA1 (0.61) ADORA1NT5ETYMPP2RX3P2RX4
SCHEMBL8610263 0.80 TYMP (0.54) ADORA1NT5ETYMP
SCHEMBL8610259 0.80 TYMP (0.54) ADORA1NT5ETYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030204079-A1 Process for producing 2', 3'-diethy substituted nucleoside derivatives AJINOMOTO CO., INC (JP) 2003-10-30 US disclosed
US-6579976-B2 Producing compounds having sugar-moiety hydroxyl groups or halogen atoms reduced in nucleic acids by allowing O-thiocarbonyl derivatives or halogenated derivatives in the sugar-moiety react with hypophosphorous acids or salts AJINOMOTO CO., INC. (JP) 2003-06-17 US disclosed
US-20020045744-A1 PROCESS FOR PRODUCING NUCLEIC ACID DERIVATIVES AJINOMOTO CO., INC. (JP) 2002-04-18 US disclosed
EP-0999218-A1 Process for producing nucleoside derivatives Ajinomoto Co., Inc. (JP) 2000-05-10 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 (2 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-20030204079-A1 Process for producing 2', 3'-diethy substituted nucleoside derivatives RNGTT, DOHH, NT5C3B ADORA1 2863/4885NT5E 184/4885TYMP 38/4885
US-20020045744-A1 PROCESS FOR PRODUCING NUCLEIC ACID DERIVATIVES RNGTT, OSGEP, PNP ADORA1 2231/4885NT5E 231/4885TYMP 19/4885

“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.