SCHEMBL12401723

SCHEMBL12401723

C#CCCC(NC(C)(C)C)C(=O)C(=O)NC1CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 4/20 0.33
CTSB P07858 4/20 0.33
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
RECQL P46063 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
SCHEMBL14943751 0.84 RAB9A (0.35) GAARAB9ASMN1; SMN2CTSLCTSB
SCHEMBL12401538 0.82 SMN1; SMN2 (0.36) HDAC4HDAC1GAARAB9ASMN1; SMN2
SCHEMBL12401540 0.82 SMN1; SMN2 (0.36) HDAC4HDAC1GAARAB9ASMN1; SMN2
SCHEMBL12413693 0.82
SCHEMBL12404697 0.80 PKM (0.36) HDAC4HDAC1GAARAB9ASMN1; SMN2
SCHEMBL12404698 0.80 NR1I2 (0.38) HDAC4HDAC1
SCHEMBL16313237 0.78 RAB9A (0.40) GAARAB9ASMN1; SMN2RECQL
SCHEMBL12401717 0.77 SMN1; SMN2 (0.43) HDAC4HDAC1GAARAB9ASMN1; SMN2
SCHEMBL12401730 0.77 CAPN1 (0.42) HDAC4HDAC1GAARAB9ASMN1; SMN2
SCHEMBL12401552 0.77 KMT2A (0.36) HDAC4HDAC1GAARAB9ASMN1; SMN2

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 HDAC4 934/4885HDAC1 675/4885GAA 773/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 HDAC4 934/4885HDAC1 675/4885GAA 773/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 HDAC4 893/4885HDAC1 1075/4885GAA 751/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HDAC4 619/4885HDAC1 770/4885GAA 771/4885

“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.