SCHEMBL2217366

SCHEMBL2217366

C=CCOC(=O)OC(=O)C(C(N)C(O)COC(=O)c1c(Cl)cccc1Cl)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ADRB2 P07550 5/20 0.33
ADRB1 P08588 5/20 0.33
ADRB3 P13945 5/20 0.33
ELANE P08246 3/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
TXNRD1 Q16881 1/20 0.30
POLB P06746 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
SCHEMBL646189 0.80 CYP3A4 (0.34) LMNAADRB2ADRB1ADRB3ELANE
SCHEMBL2217364 0.76 ALDH1A1 (0.35) LMNAADRB2ADRB1ADRB3ELANE
SCHEMBL1409148 0.76 ALDH1A1 (0.35) LMNAADRB2ADRB1ADRB3ELANE
SCHEMBL4439353 0.71 CYP3A4 (0.58) ELANEALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL311041 0.69 KLK5 (0.36) ADRB2ADRB1ADRB3ALDH1A1HPGD
SCHEMBL646188 0.67 CASP1 (0.44) CASP1
SCHEMBL3905732 0.67 ADRB2 (0.38) LMNAADRB2ADRB1ADRB3ELANE
SCHEMBL3905740 0.67 ADRB2 (0.38) LMNAADRB2ADRB1ADRB3ELANE
SCHEMBL8766597 0.66 ALDH1A1 (0.59) ALDH1A1HPGDCYP3A4HSD17B10TSHR
SCHEMBL7028882 0.64 CYP3A4 (0.65) ALDH1A1HPGDCYP3A4HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US 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 (1 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B LMNA 485/4885ADRB2 3689/4885ADRB1 2121/4885

“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.