SCHEMBL12467295

SCHEMBL12467295

CCC(=O)C(NC(=O)NCc1ccccc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ANPEP P15144 4/20 0.50
ATM Q13315 2/20 0.50
RIPK1 Q13546 1/20 0.50
PPID Q08752 1/20 0.49
EPHX1 P07099 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.48
UTS2R Q9UKP6 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL3526002 0.87 MAPT (0.56) MAPTL3MBTL1ANPEPATMRIPK1
SCHEMBL15338744 0.85 L3MBTL1 (0.55) MAPTL3MBTL1ANPEPATMRIPK1
SCHEMBL12482565 0.84 ANPEP (0.55) ANPEPRIPK1ALDH1A1
SCHEMBL12467373 0.84 ALDH1A1 (0.56) MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL12330833 0.84 L3MBTL1 (0.54) MAPTL3MBTL1ANPEPATMRIPK1
SCHEMBL12505734 0.81 ANPEP (0.61) MAPTL3MBTL1ANPEPATMSMN1; SMN2
SCHEMBL3528783 0.81 ANPEP (0.50) MAPTL3MBTL1ANPEPATMRIPK1
SCHEMBL12482254 0.79 POLB (0.54) ALDH1A1CYP3A4CYP2C19
SCHEMBL13881122 0.79 L3MBTL1 (0.48) MAPTL3MBTL1ANPEPATMRIPK1
SCHEMBL12478606 0.77 HSD17B10 (0.51) MAPTEPHX1SMN1; 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 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-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 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 MAPT 2629/4885L3MBTL1 3011/4885ANPEP 38/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 MAPT 2629/4885L3MBTL1 3011/4885ANPEP 38/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 MAPT 3914/4885L3MBTL1 1303/4885ANPEP 49/4885

“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.