SCHEMBL1302274

SCHEMBL1302274

Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)OCc4ccccc4)cc3)c2c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 8/20 0.79
GART P22102 8/20 0.79
FOLR1 P15328 7/20 0.79
SLC46A1 Q96NT5 7/20 0.79
SLC19A1 P41440 6/20 0.79
DHFR P00374 4/20 0.79
FOLR2 P14207 3/20 0.79
ATIC P31939 2/20 0.79
SHMT1 P34896 1/20 0.79
FRK P42685 1/20 0.79

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
SCHEMBL1302278 1.00 TYMS (0.79) TYMSGARTFOLR1SLC46A1SLC19A1
SCHEMBL15078861 0.90 GART (0.84) TYMSGARTFOLR1SLC46A1SLC19A1
SCHEMBL1302245 0.89 TYMS (0.63) TYMSGARTFOLR1SLC46A1SLC19A1
SCHEMBL1302244 0.89 TYMS (0.63) TYMSGARTFOLR1SLC46A1SLC19A1
Pemetrexed SCHEMBL209720 0.88 GART (1.00) TYMSGARTFOLR1SLC46A1SLC19A1
Pemetrexed SCHEMBL7144918 0.88 GART (1.00) TYMSGARTFOLR1SLC46A1SLC19A1
Pemetrexed SCHEMBL5959741 0.88 GART (1.00) TYMSGARTFOLR1SLC46A1SLC19A1
SCHEMBL18689788 0.88 GART (0.88) TYMSGARTFOLR1SLC46A1SLC19A1
Pemetrexed SCHEMBL1933381 0.88 GART (0.98) TYMSGARTFOLR1SLC46A1SLC19A1
Pemetrexed SCHEMBL14321276 0.88 GART (0.98) TYMSGARTFOLR1SLC46A1SLC19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323695-B1 COMPLEXES OF SMALL-INTERFERING NUCLEIC ACIDS NEKTAR THERAPEUTICS (US) 2018-12-05 EP disclosed
EP-2326351-B1 CONJUGATES OF SMALL-INTERFERING NUCLEIC ACIDS NEKTAR THERAPEUTICS (US) 2017-12-27 EP disclosed
US-9433684-B2 Conjugates of small-interfering nucleic acids NEKTAR THERAPEUTICS (US) 2016-09-06 US disclosed
US-9433684-B2 Conjugates of small-interfering nucleic acids NEKTAR THERAPEUTICS (US) 2016-09-06 US disclosed
US-9433684-B2 Conjugates of small-interfering nucleic acids NEKTAR THERAPEUTICS (US) 2016-09-06 US disclosed
US-9089610-B2 Complexes of small-interfering nucleic acids NEKTAR THERAPEUTICS (US) 2015-07-28 US disclosed
US-9089610-B2 Complexes of small-interfering nucleic acids NEKTAR THERAPEUTICS (US) 2015-07-28 US disclosed
US-9089610-B2 Complexes of small-interfering nucleic acids NEKTAR THERAPEUTICS (US) 2015-07-28 US disclosed
US-20120100096-A1 CONJUGATES PF SMALL-INTERFERING NUCLEIC ACIDS NEKTAR THERAPEUTICS (US) 2012-04-26 US disclosed
US-20120100096-A1 CONJUGATES PF SMALL-INTERFERING NUCLEIC ACIDS NEKTAR THERAPEUTICS (US) 2012-04-26 US disclosed
US-20110269713-A1 BRYOSTATIN ANALOGUES AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-11-03 US disclosed
US-20110213013-A1 Complexes of Small-Interfering Nucleic Acids NEKTAR THERAPEUTICS (US) 2011-09-01 US disclosed
US-20110213013-A1 Complexes of Small-Interfering Nucleic Acids NEKTAR THERAPEUTICS (US) 2011-09-01 US disclosed
WO-2010021720-A1 CONJUGATES OF SMALL-INTERFERING NUCLEIC ACIDS NEKTAR THERAPEUTICS (US) 2010-02-25 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-20110269713-A1 BRYOSTATIN ANALOGUES AND METHODS OF MAKING AND USING THEREOF PRKAR2B, PRKAR2A, PRKCH TYMS 1710/4885GART 3514/4885FOLR1 2005/4885
US-20120100096-A1 CONJUGATES PF SMALL-INTERFERING NUCLEIC ACIDS SLC19A1, FOLR1, SLC46A1 TYMS 1066/4885GART 1294/4885FOLR1 2/4885
US-20110213013-A1 Complexes of Small-Interfering Nucleic Acids SNRPA, NSUN2, SNRPE TYMS 1796/4885GART 2858/4885FOLR1 822/4885

“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.