SCHEMBL2106148

SCHEMBL2106148

COc1ccc(C(OC(C(=O)COc2ccccc2)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](OCOCCC#N)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.42
HPGD P15428 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
HINT1 P49773 5/20 0.38
GSK3A P49840 2/20 0.36
RPS6KA3 P51812 2/20 0.36
MAPK14 Q16539 2/20 0.36
KRAS P01116 3/20 0.35
PNP P00491 1/20 0.34

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
SCHEMBL15841440 0.99 TYMP (0.41) TYMPHPGDTAS1R3TAS1R1TAAR1
SCHEMBL2107702 0.93 TYMP (0.44) TYMPHPGDTAS1R3TAS1R1TAAR1
SCHEMBL3905624 0.89 HPGD (0.37) TYMPHPGDTAS1R3TAS1R1TAAR1
SCHEMBL16401489 0.89 TYMP (0.48) TYMPHPGDTAS1R3TAS1R1TAAR1
SCHEMBL2215262 0.89 TYMP (0.43) TYMPHPGDTAS1R3TAS1R1TAAR1
SCHEMBL2107681 0.89 HPGD (0.37) TYMPHPGDTAS1R3TAS1R1TAAR1
SCHEMBL15878701 0.88 HPGD (0.36) TYMPHPGDTAS1R3TAS1R1TAAR1
SCHEMBL2108884 0.87 TYMP (0.53) TYMPHPGDTAAR1HINT1GSK3A
SCHEMBL16401843 0.85 TYMP (0.48) TYMPHPGDTAS1R3TAS1R1TAAR1
SCHEMBL10476437 0.84 TAAR1 (0.40) TYMPHPGDTAS1R3TAS1R1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1995253-B1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID NIPPON SHINYAKU CO LTD (JP) 2016-12-21 EP disclosed
EP-1795536-B1 PHOSPHORAMIDITE COMPOUND AND METHOD FOR PRODUCING OLIGO-RNA NIPPON SHINYAKU CO LTD (JP) 2012-05-02 EP disclosed
US-8158775-B2 Method for detaching protecting group on nucleic acid NIPPON SHINYAKU CO., LTD. (JP) 2012-04-17 US disclosed
US-20090312534-A1 METHOD FOR REMOVAL OF NUCLEIC ACID-PROTECTING GROUP NIPPON SHINYAKU CO., LTD. (JP) 2009-12-17 US disclosed
US-20090149645-A1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID NIPPON SHINYAKU CO., LTD. (JP) 2009-06-11 US disclosed
US-20090137790-A1 METHOD OF CAPPING OLIGONUCLEIC ACID NIPPON SHINYAKU CO., LTD. (JP) 2009-05-28 US disclosed
EP-2017282-A1 METHOD OF CAPPING OLIGONUCLEIC ACID Nippon Shinyaku Co., Ltd. (JP) 2009-01-21 EP disclosed
EP-1995252-A1 METHOD FOR REMOVAL OF NUCLEIC ACID-PROTECTING GROUP Nippon Shinyaku Co., Ltd. (JP) 2008-11-26 EP disclosed
EP-1995253-A1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID Nippon Shinyaku Co., Ltd. (JP) 2008-11-26 EP disclosed
US-20070282097-A1 Phosphoramidite Compound And Method For Producing Oligo-Rna NIPPON SHINYAKU CO., LTD. (JP) 2007-12-06 US disclosed
EP-1795536-A1 PHOSPHORAMIDITE COMPOUND AND METHOD FOR PRODUCING OLIGO-RNA Nippon Shinyaku Co., Ltd. (JP) 2007-06-13 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 (4 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-20090312534-A1 METHOD FOR REMOVAL OF NUCLEIC ACID-PROTECTING GROUP NSUN2, RNASEH1, RNASE1 TYMP 321/4885HPGD 2241/4885TAS1R3 3036/4885
US-20090137790-A1 METHOD OF CAPPING OLIGONUCLEIC ACID RNGTT, DUT, ADAR TYMP 122/4885HPGD 3144/4885TAS1R3 4816/4885
US-20070282097-A1 Phosphoramidite Compound And Method For Producing Oligo-Rna NSUN2, NSUN3, XRN2 TYMP 485/4885HPGD 4533/4885TAS1R3 2238/4885
US-20090149645-A1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID DNASE1, DNASE1L3, NSUN2 TYMP 149/4885HPGD 2390/4885TAS1R3 3167/4885

“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.