SCHEMBL2286233

SCHEMBL2286233

[2H]C([2H])([2H])C(C)C(=O)OC(OC(=O)Oc1ccc(SC)cc1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACACB O00763 1/20 0.31
AKR1C3 P42330 3/20 0.31
AKR1C2 P52895 3/20 0.31
ALDH1A1 P00352 1/20 0.30
RCE1 Q9Y256 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
SCHEMBL2286310 0.92 ELANE (0.41) ELANEKDM4EMAPTLMNAPOLB
SCHEMBL2295072 0.78 ELANE (0.42) ELANEKDM4EMAPTLMNAPOLB
SCHEMBL15984572 0.76 LMNA (0.49) ELANEMAPTLMNAPOLBALDH1A1
SCHEMBL15967677 0.76 ELANE (0.44) ELANELMNAALDH1A1
SCHEMBL15984584 0.76 LMNA (0.49) ELANEMAPTLMNAPOLBALDH1A1
SCHEMBL15967675 0.76 ELANE (0.44) ELANELMNAALDH1A1
SCHEMBL15987256 0.75 ELANE (0.42) ELANEKDM4EPOLBALDH1A1
SCHEMBL16003524 0.75 ELANE (0.42) ELANEMAPTLMNANPSR1
SCHEMBL16003540 0.75 ELANE (0.42) ELANEMAPTLMNANPSR1
SCHEMBL15987201 0.75 ELANE (0.42) ELANEKDM4EPOLBALDH1A1

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-8299291-B2 Methods of synthesizing 1-(acyloxy)-alkyl carbamate prodrugs XENOPORT, INC. (US) 2012-10-30 US disclosed
US-7989641-B2 Methods of synthesizing N-hydroxysuccinimidyl carbonates XENOPORT, INC. (US) 2011-08-02 US disclosed
US-20100087667-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2010-04-08 US disclosed
US-20100081830-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES XENOPORT, INC. (US) 2010-04-01 US disclosed
WO-2010017504-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2010-02-11 WO disclosed
WO-2010017498-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES XENOPORT, INC. (US) 2010-02-11 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 (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-20100087667-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS CPS1, ASNS, NAAA ELANE 1960/4885KDM4E 1009/4885MAPT 4368/4885
US-20100081830-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES CPS1, SI, ASNS ELANE 1609/4885KDM4E 1274/4885MAPT 4426/4885

“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.