SCHEMBL12468320

SCHEMBL12468320

CCC(=O)[C@@H](NC(=O)CC1CCCCCC1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 1/20 0.44
EPHX2 P34913 3/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
P2RX7 Q99572 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 2/20 0.34
MMP3 P08254 1/20 0.34
BMP1 P13497 1/20 0.34

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 1.00 HPGD (0.44) HPGDKMT2AEPHX1EPHX2RAB9A
SCHEMBL12467414 1.00 HPGD (0.44) HPGDKMT2AEPHX1EPHX2RAB9A
SCHEMBL12466930 1.00 HPGD (0.44) HPGDKMT2AEPHX1EPHX2RAB9A
SCHEMBL12467386 0.98 KMT2A (0.41) HPGDKMT2AEPHX1EPHX2RAB9A
SCHEMBL12467285 0.87 HPGD (0.47) HPGDKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL12468388 0.87 ACACB (0.32)
SCHEMBL12468385 0.86 HPGD (0.40) HPGDKMT2AEPHX1EPHX2RAB9A
SCHEMBL15219741 0.84 HPGD (0.46) HPGDKMT2AEPHX1EPHX2RAB9A
SCHEMBL12330772 0.84 HPGD (0.46) HPGDKMT2AEPHX1EPHX2RAB9A
SCHEMBL14943219 0.84 HPGD (0.46) HPGDKMT2AEPHX1EPHX2RAB9A

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-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 HPGD 1824/4885KMT2A 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.