SCHEMBL12467285

SCHEMBL12467285

CCC(=O)C(NC(=O)CCC1CCCCC1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
HSD11B1 P28845 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL12468248 0.87 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12467414 0.87 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12468320 0.87 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12466930 0.87 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14943389 0.85 HPGD (0.50) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12467386 0.85 KMT2A (0.41) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12401246 0.84 HPGD (0.49) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12481356 0.78 EPHX1 (0.46) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL4341580 0.77 HPGD (0.59) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16328232 0.77 CTSK (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 HPGD 1806/4885NPC1 252/4885RAB9A 2004/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 HPGD 1806/4885NPC1 252/4885RAB9A 2004/4885

“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.