SCHEMBL12401382

SCHEMBL12401382

COC(C)(C)[C@H](NC(=O)CC1CCCCC1)C(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
KMT2A Q03164 3/20 0.41
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
MEN1 O00255 1/20 0.35
ALPL P05186 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL12401384 0.85 KMT2A (0.45) EPHX2KMT2AEPHX1HPGDNPC1
SCHEMBL12401261 0.85 KMT2A (0.45) EPHX2KMT2AEPHX1HPGDNPC1
SCHEMBL12401196 0.85 KMT2A (0.45) EPHX2KMT2AEPHX1HPGDNPC1
SCHEMBL12401388 0.85 KMT2A (0.45) EPHX2KMT2AEPHX1HPGDNPC1
SCHEMBL12468385 0.85 HPGD (0.40) EPHX2KMT2AEPHX1HPGDKDM4E
SCHEMBL12401346 0.84 KMT2A (0.42) EPHX2KMT2AEPHX1HPGDNPC1
SCHEMBL15219810 0.75 HPGD (0.46) EPHX2KMT2AEPHX1HPGDNPC1
SCHEMBL12330772 0.75 HPGD (0.46) EPHX2KMT2AEPHX1HPGDNPC1
SCHEMBL15219741 0.75 HPGD (0.46) EPHX2KMT2AEPHX1HPGDNPC1
SCHEMBL14943219 0.75 HPGD (0.46) EPHX2KMT2AEPHX1HPGDNPC1

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 EPHX2 3577/4885KMT2A 2779/4885EPHX1 1623/4885

“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.