SCHEMBL12401070

SCHEMBL12401070

C=CCOC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 8/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDF Q9HBH1 1/20 0.33
TSHR P16473 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 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
SCHEMBL731986 0.85 CASP1 (0.39) SMN1; SMN2CASP1MAPTALDH1A1
SCHEMBL2049299 0.85 CASP1 (0.39) SMN1; SMN2CASP1MAPTALDH1A1
SCHEMBL14943742 0.85 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACASP1MAPT
SCHEMBL15338738 0.84 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ACASP1MAPT
SCHEMBL12466907 0.83 SMN1; SMN2 (0.39) SMN1; SMN2CASP1MAPTALDH1A1TSHR
SCHEMBL12412303 0.80 MGAM (0.40) SMN1; SMN2TDP1KDM4EMAPK1TSHR
SCHEMBL8234980 0.75 HRH3 (0.35) TSHR
SCHEMBL12401333 0.75 HRH3 (0.32)
SCHEMBL4741694 0.75 CA1 (0.32)
SCHEMBL19318531 0.75 CA1 (0.32)

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 2265/4885MEN1 2930/4885KMT2A 3222/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 SMN1; SMN2 2265/4885MEN1 2930/4885KMT2A 3222/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 SMN1; SMN2 2646/4885MEN1 4026/4885KMT2A 3161/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 SMN1; SMN2 2156/4885MEN1 3395/4885KMT2A 2779/4885

“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.