SCHEMBL12401673

SCHEMBL12401673

CCCC(NC(C)(C)C)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
RIPK1 Q13546 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CAPN1 P07384 5/20 0.44
TLR2 O60603 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX2 P34913 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL12401725 0.87 RAB9A (0.57) CTSKL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16317048 0.85 CTSK (0.57) CTSKL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL14943765 0.85 CTSK (0.56) CTSKL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL12404664 0.83 GPR88 (0.47) CTSKALDH1A1CYP3A4CYP2C19
SCHEMBL12401676 0.83 CTSK (0.41) CTSKMAPTCAPN1LMNARAB9A
SCHEMBL12401706 0.82 CTSK (0.43) CTSKALDH1A1MAPTKMT2ACAPN1
SCHEMBL12401693 0.81 HPGD (0.49) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL12401694 0.81 CTSK (0.41) CTSKALDH1A1SMN1; SMN2POLBEPHX2
SCHEMBL12401674 0.80 LMNA (0.43) CTSKLMNA
SCHEMBL12401711 0.80 ALDH1A1 (0.47) ALDH1A1MEN1MAPTKMT2ASMN1; 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 CTSK 217/4885L3MBTL1 3011/4885ALDH1A1 1374/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSK 217/4885L3MBTL1 3011/4885ALDH1A1 1374/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSK 109/4885L3MBTL1 1303/4885ALDH1A1 2219/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885L3MBTL1 3090/4885ALDH1A1 1255/4885

“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.