SCHEMBL12401717

SCHEMBL12401717

CCCC(NC(C)(C)C)C(=O)C(=O)NC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.42
MAPT P10636 1/20 0.42
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
EPHX1 P07099 5/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
MAPK1 P28482 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 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
SCHEMBL12401672 0.99 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL12401540 0.94 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AGAAHDAC4HDAC1
SCHEMBL12401538 0.94 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AGAAHDAC4HDAC1
SCHEMBL14943216 0.83 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL14943210 0.82 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL12401733 0.81 HTT (0.43) SMN1; SMN2GAAALDH1A1MAPK1
SCHEMBL12468295 0.81 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL12404698 0.79 NR1I2 (0.38) HDAC4HDAC1
SCHEMBL12404697 0.79 PKM (0.36) SMN1; SMN2RAB9AGAAHDAC4HDAC1
SCHEMBL12413685 0.79 HTT (0.32) SMN1; SMN2GAAALDH1A1MAPK1

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 SMN1; SMN2 2265/4885RAB9A 2004/4885GAA 773/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 SMN1; SMN2 2265/4885RAB9A 2004/4885GAA 773/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 SMN1; SMN2 2646/4885RAB9A 3172/4885GAA 751/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 SMN1; SMN2 2156/4885RAB9A 2014/4885GAA 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.