SCHEMBL12468401

SCHEMBL12468401

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.33
MMP3 P08254 11/20 0.33
MMP2 P08253 8/20 0.33
MMP9 P14780 6/20 0.33
MMP7 P09237 4/20 0.33
PDF Q9HBH1 1/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 1/20 0.33
ADAM17 P78536 1/20 0.33
HPGD P15428 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL12481781 1.00 MMP1 (0.33) MMP1MMP3MMP2MMP9MMP7
SCHEMBL12466915 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL15219743 0.80 SMN1; SMN2 (0.37) MMP1MMP3MMP2MMP9MMP7
SCHEMBL13449084 0.80 HPGD (0.40) MMP1MMP3MMP2MMP9MMP7
SCHEMBL14943686 0.80 SMN1; SMN2 (0.37) MMP1MMP3MMP2MMP9MMP7
SCHEMBL12468317 0.79 GAA (0.40) MMP1MMP3MMP2MMP9MMP7
SCHEMBL12401380 0.78 SMN1; SMN2 (0.36) MMP1MMP3MMP2MMP9MMP7
SCHEMBL12401210 0.78 SMN1; SMN2 (0.36) MMP1MMP3MMP2MMP9MMP7
SCHEMBL12481785 0.78 ALDH1A1 (0.36) MMP13MEN1KMT2A
SCHEMBL12462670 0.78 ADAM17 (0.36) MMP1MMP3MMP2MMP9MMP7

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 MMP1 599/4885MMP3 84/4885MMP2 107/4885

“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.