SCHEMBL14943751

SCHEMBL14943751

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CAPN1 P07384 5/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL12401723 0.84 HDAC4 (0.33) RAB9ASMN1; SMN2GAACTSLCTSB
SCHEMBL16313237 0.81 RAB9A (0.40) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL13338252 0.81 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2GAACAPN1NPC1
SCHEMBL16328219 0.81 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2GAACAPN1NPC1
SCHEMBL16330212 0.80
SCHEMBL15219795 0.78 RAB9A (0.33) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL15368937 0.78 RAB9A (0.36) RAB9ASMN1; SMN2GAACAPN1NPC1
SCHEMBL16328624 0.77 L3MBTL1 (0.39) RAB9ASMN1; SMN2GAACAPN1NPC1
SCHEMBL15368934 0.77 PKM (0.38) RAB9ASMN1; SMN2GAACAPN1
SCHEMBL14943216 0.75 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2GAANPC1MAPT

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