SCHEMBL12401217

SCHEMBL12401217

Cc1ccc(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.48
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 2/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37

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
SCHEMBL14943684 0.88 P2RX7 (0.46) P2RX7KMT2AMEN1LMNAALDH1A1
SCHEMBL12401247 0.80 ANO1 (0.38) P2RX7KMT2AMEN1LMNAALDH1A1
SCHEMBL12401203 0.76 MEN1 (0.54) KMT2AMEN1ALDH1A1CNR2PSMB8
SCHEMBL12401288 0.75 P2RX7 (0.51) P2RX7LMNAALDH1A1L3MBTL1
SCHEMBL12401138 0.74 POLB (0.53) KMT2AMEN1ALDH1A1GAA
SCHEMBL18911986 0.74 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL12401180 0.74 VNN1 (0.49)
SCHEMBL12401227 0.73 NPC1 (0.46) KMT2AMEN1ALDH1A1TDP1
SCHEMBL12401222 0.72 HPGD (0.47) P2RX7KMT2AMEN1LMNAALDH1A1
SCHEMBL27780660 0.72 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
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-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 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 (4 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 P2RX7 4257/4885KMT2A 3222/4885MEN1 2930/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 P2RX7 4257/4885KMT2A 3222/4885MEN1 2930/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 P2RX7 3377/4885KMT2A 3161/4885MEN1 4026/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 P2RX7 4331/4885KMT2A 2779/4885MEN1 3395/4885

“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.