SCHEMBL12401401

SCHEMBL12401401

CCC(=O)N[C@H](C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
MMP3 P08254 12/20 0.33
MMP2 P08253 11/20 0.33
MMP1 P03956 10/20 0.33
MMP7 P09237 4/20 0.33
PDF Q9HBH1 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP9 P14780 3/20 0.32
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
ADAM17 P78536 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 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
SCHEMBL12401380 0.82 SMN1; SMN2 (0.36) MMP3MMP2MMP1MMP7PDF
SCHEMBL12401210 0.82 SMN1; SMN2 (0.36) MMP3MMP2MMP1MMP7PDF
SCHEMBL12401204 0.80 MMP1 (0.39) CYP2C9MMP3MMP2MMP1MMP7
SCHEMBL12401154 0.79 PHF8 (0.39) MMP13KDM4ELMNA
SCHEMBL12401071 0.79 ALDH1A1 (0.37) MMP13ALDH1A1LMNA
SCHEMBL23052280 0.78 CYP2C9 (0.41) CYP2C9MMP3MMP2MMP1MMP7
SCHEMBL18462936 0.78 CYP2C9 (0.41) CYP2C9MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL10067158 0.78 CYP2C9 (0.41) CYP2C9MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL18462935 0.77 CYP2C9 (0.43) CYP2C9MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL17664757 0.76 CYP2C9 (0.39) CYP2C9MMP3MMP2MMP1MMP7

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 CYP2C9 1014/4885MMP3 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.