SCHEMBL12401418

SCHEMBL12401418

COC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 2/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL15219813 0.87 EPHX1 (0.41) EPHX1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL8243464 0.86 EPHX1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL12401415 0.86 EPHX1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL12401407 0.85 EPHX1 (0.46) EPHX1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL14441686 0.85 EPHX1 (0.46) EPHX1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL12401422 0.85 EPHX1 (0.46) EPHX1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL12401411 0.83 EPHX1 (0.40) EPHX1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL12467559 0.83 EPHX1 (0.45) EPHX1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL12401420 0.80 EPHX1 (0.35) EPHX1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL14943351 0.75 EPHX1 (0.45) EPHX1NPC1RAB9ASMN1; SMN2HTT

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-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 EPHX1 1623/4885NPC1 211/4885RAB9A 2014/4885

“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.