SCHEMBL10201215

SCHEMBL10201215

COC(=O)[C@H](CNc1ncccc1N)NBC=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TSHR P16473 1/20 0.33
HDAC6 Q9UBN7 4/20 0.32
HDAC1 Q13547 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10201212 0.87 FDPS (0.34) FDPSKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL13140024 0.80 KMT2A (0.38) FDPSKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL647288 0.76 KLK5 (0.40) ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL13140027 0.69 FDPS (0.36) FDPSKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL24398169 0.68 ACP1 (0.42) FDPSHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL1294289 0.68 HSD17B10 (0.40) FDPSKMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL644995 0.68 PPARA (0.44)
SCHEMBL12450921 0.67 HDAC1 (0.38) MAPK1HDAC6HDAC1NPC1RAB9A
SCHEMBL1699275 0.66 HPGD (0.49) HSD17B10ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL18725691 0.66 FDPS (0.40) FDPSHSD17B10ALDH1A1KDM4EHPGD

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 FDPS 1431/4885KMT2A 4308/4885HSD17B10 1135/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B FDPS 1431/4885KMT2A 4308/4885HSD17B10 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.