SCHEMBL933280

SCHEMBL933280

O=C(O)CC(CCl)(C(=O)O)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
EPHX2 P34913 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
SCHEMBL11453750 0.81 CYP2D6 (0.34) KEAP1NFE2L2ALDH1A1KDM4EMEN1
SCHEMBL27555136 0.76 CYP2D6 (0.33) KEAP1NFE2L2ALDH1A1KDM4ECYP2D6
SCHEMBL20168656 0.74 KEAP1 (0.37) KEAP1NFE2L2ALDH1A1CYP2D6TSHR
SCHEMBL9129355 0.74 ALDH1A1 (0.35) KEAP1NFE2L2ALDH1A1KDM4EMEN1
SCHEMBL27957330 0.74 KEAP1 (0.37) KEAP1NFE2L2ALDH1A1KDM4ENPC1
SCHEMBL19690668 0.74 NAAA (0.35) EPHX2
SCHEMBL27334904 0.73 FFAR3 (0.31) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5239699 0.73 ADRA1A (0.37) KDM4ESMN1; SMN2HIF1AEPHX2
SCHEMBL25429424 0.72 KEAP1 (0.36) KEAP1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL10358243 0.72 KEAP1 (0.36) KEAP1NFE2L2ALDH1A1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10307434-B2 Nucleic acid prodrugs and methods of use thereof WAVE LIFE SCIENCES LTD. (SG) 2019-06-04 US disclosed
US-9744183-B2 Nucleic acid prodrugs and methods of use thereof WAVE LIFE SCIENCES LTD. (SG) 2017-08-29 US disclosed
US-20160347784-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES PTE. LTD. (SG) 2016-12-01 US disclosed
US-20120316224-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF ONTORII, INC (US) 2012-12-13 US disclosed
EP-2451461-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF Ontorii, Inc (US) 2012-05-16 EP disclosed
WO-2011005761-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS USE THEREOF ONTORII, INC (US) 2011-01-13 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-20120316224-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF PNP, RNGTT, TYMP KEAP1 4528/4885NFE2L2 4637/4885ALDH1A1 1085/4885
US-20160347784-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF PNP, RNGTT, TYMP KEAP1 4528/4885NFE2L2 4637/4885ALDH1A1 1085/4885
US-10307434-B2 Nucleic acid prodrugs and methods of use thereof PNP, RNGTT, NSUN2 KEAP1 4483/4885NFE2L2 4436/4885ALDH1A1 899/4885

“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.