SCHEMBL14943449

SCHEMBL14943449

CCCC(NC)C(=O)C(=O)NC1CCS(=O)(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.39

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
SCHEMBL12401733 0.86 HTT (0.43) SMN1; SMN2HTTGAAMAPK1LMNA
SCHEMBL16328219 0.82 SMN1; SMN2 (0.38) SMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL13338252 0.82 SMN1; SMN2 (0.38) SMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL8243403 0.82 SMN1; SMN2 (0.50) SMN1; SMN2HTTGAAMAPK1LMNA
SCHEMBL14943216 0.80 SMN1; SMN2 (0.46) SMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL14943210 0.79 SMN1; SMN2 (0.48) SMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL12413685 0.74 HTT (0.32) SMN1; SMN2HTTGAAMAPK1LMNA
SCHEMBL14943708 0.70 MME (0.47) LMNA
SCHEMBL9901863 0.70 ALDH1A1 (0.58) SMN1; SMN2HTTGAAMAPK1LMNA
SCHEMBL13350518 0.70 SMN1; SMN2 (0.39) SMN1; SMN2GAALMNAALDH1A1L3MBTL1

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
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 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 (3 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 2265/4885HTT 3023/4885GAA 773/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 SMN1; SMN2 2265/4885HTT 3023/4885GAA 773/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 SMN1; SMN2 2646/4885HTT 2958/4885GAA 751/4885

“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.