SCHEMBL10201310

SCHEMBL10201310

C[C@H]1CCCN(C(=O)OC(C)(C)C)N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
EPHX1 P07099 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PREP P48147 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL27481273 0.81 HSD17B10 (0.44) HPGDEPHX1HSD17B10CHRM2CHRM1
SCHEMBL6205807 0.78 EPHX1 (0.40) HPGDEPHX1HSD17B10CHRM2CHRM1
SCHEMBL6949600 0.77 MMP3 (0.44) HPGDEPHX1HSD17B10CHRM2CHRM1
SCHEMBL30620183 0.74 HPGD (0.45) HPGDEPHX1HSD17B10CHRM2CHRM1
SCHEMBL28947794 0.74 CHRM2 (0.41) HPGDEPHX1HSD17B10CHRM2CHRM1
SCHEMBL16611905 0.73 CHRM2 (0.39) HPGDEPHX1HSD17B10CHRM2CHRM1
SCHEMBL2125387 0.72 USP2 (0.42) HPGDEPHX1HSD17B10CHRM2CHRM1
SCHEMBL27524186 0.71 CHRM2 (0.37) HPGDEPHX1HSD17B10CHRM2CHRM1
SCHEMBL4923319 0.70 HPGD (0.41) HPGDEPHX1HSD17B10CHRM2CHRM1
SCHEMBL357043 0.70 HSD17B10 (0.52) HPGDEPHX1HSD17B10CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
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 (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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B HPGD 1148/4885EPHX1 930/4885HSD17B10 1135/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B HPGD 1148/4885EPHX1 930/4885HSD17B10 1135/4885

“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.