SCHEMBL2107681

SCHEMBL2107681

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
TYMP P19971 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HINT1 P49773 8/20 0.34
KRAS P01116 4/20 0.31
GSK3A P49840 1/20 0.31
RPS6KA3 P51812 1/20 0.31
MAPK14 Q16539 1/20 0.31
XDH P47989 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
SCHEMBL15878701 0.99 HPGD (0.36) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL2215519 0.95 HPGD (0.35) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL3905624 0.94 HPGD (0.37) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL2108084 0.94 HPGD (0.38) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL2106148 0.89 TYMP (0.42) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL15841440 0.88 TYMP (0.41) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL1317492 0.84 CARM1 (0.34) TYMP
SCHEMBL2109084 0.83 TRDMT1 (0.36) TYMP
SCHEMBL6443389 0.82 HPGD (0.37) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL15879332 0.82 TRDMT1 (0.36) TYMP

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 13 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-2551273-A1 PHOSPHORYLATION REAGENT The University of Tokyo (JP) 2013-01-30 EP disclosed
US-20120322993-A1 Phosphorylation Reagent NIPPON SHINYAKU CO., LTD. (JP) 2012-12-20 US 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 (5 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 HPGD 2241/4885TAAR1 4221/4885TYMP 321/4885
US-20090137790-A1 METHOD OF CAPPING OLIGONUCLEIC ACID RNGTT, DUT, ADAR HPGD 3144/4885TAAR1 3438/4885TYMP 122/4885
US-20070282097-A1 Phosphoramidite Compound And Method For Producing Oligo-Rna NSUN2, NSUN3, XRN2 HPGD 4533/4885TAAR1 2737/4885TYMP 485/4885
US-20120322993-A1 Phosphorylation Reagent CSNK2A2, CSNK2A1, CSNK2B HPGD 4351/4885TAAR1 3762/4885TYMP 2356/4885
US-20090149645-A1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID DNASE1, DNASE1L3, NSUN2 HPGD 2390/4885TAAR1 3814/4885TYMP 149/4885

“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.