SCHEMBL13245165

SCHEMBL13245165

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
ALPL P05186 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36

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
SCHEMBL16312318 0.81 MMP1 (0.56) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL13245283 0.79 TSHR (0.39) MMP1MMP2CA12CA1CA2
SCHEMBL19699581 0.77 MMP1 (0.48) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL8114734 0.77 MMP1 (0.48) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL19699582 0.77 MMP1 (0.48) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL24192977 0.75 MMP1 (0.50) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL12296311 0.75 MMP1 (0.50) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL13085203 0.75 MMP1 (0.50) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL8300132 0.75 MMP1 (0.50) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL13267346 0.73 MMP1 (0.48) MMP1MMP2MMP3SMN1; SMN2PKM

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-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 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-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 MMP1 964/4885MMP2 363/4885MMP3 281/4885
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 MMP1 911/4885MMP2 362/4885MMP3 260/4885

“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.