SCHEMBL12401154

SCHEMBL12401154

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 5/20 0.39
KDM2A Q9Y2K7 5/20 0.39
KDM4E B2RXH2 3/20 0.39
KDM5C P41229 3/20 0.39
EGLN1 Q9GZT9 3/20 0.39
KDM6B O15054 1/20 0.39
FOLH1 Q04609 1/20 0.39
KDM7A Q6ZMT4 1/20 0.38
GNPAT O15228 1/20 0.37
MME P08473 1/20 0.36
MMP13 P45452 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A1 P04798 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
ECE1 P42892 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL12401071 0.85 ALDH1A1 (0.37) MMP13LMNA
SCHEMBL8138650 0.83 PHF8 (0.41) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL12401401 0.79 CYP2C9 (0.42) KDM4EMMP13LMNA
SCHEMBL12401210 0.77 SMN1; SMN2 (0.36) MMP13L3MBTL1
SCHEMBL12401380 0.77 SMN1; SMN2 (0.36) MMP13L3MBTL1
SCHEMBL12401204 0.76 MMP1 (0.39) MMP13LMNA
SCHEMBL20286177 0.75 GNPAT (0.45) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL13826274 0.75 PHF8 (0.43) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL15680129 0.74 PLA2G2C (0.42) FOLH1LMNAPLA2G2C
SCHEMBL12401246 0.74 HPGD (0.49) POLB

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 PHF8 2470/4885KDM2A 3083/4885KDM4E 2603/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 PHF8 2470/4885KDM2A 3083/4885KDM4E 2603/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 PHF8 2658/4885KDM2A 2143/4885KDM4E 1721/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 PHF8 2310/4885KDM2A 2348/4885KDM4E 1669/4885

“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.