SCHEMBL12401352

SCHEMBL12401352

CC(C)CNC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX1 P07099 2/20 0.39
LMNA P02545 2/20 0.37
MMP1 P03956 7/20 0.36
MMP8 P22894 5/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP3 P08254 6/20 0.32
MMP9 P14780 6/20 0.32
MMP2 P08253 6/20 0.32
MMP13 P45452 3/20 0.32
MLYCD O95822 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP7 P09237 2/20 0.31

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
SCHEMBL12401291 0.84 MAPT (0.31) MAPT
SCHEMBL14943560 0.84 MAPT (0.47) MAPTCYP2D6CYP2C19EPHX1LMNA
SCHEMBL12413602 0.83 MAPT (0.44) MAPTCYP2D6CYP2C19EPHX1LMNA
SCHEMBL8242026 0.82 MAPT (0.46) MAPTCYP2D6CYP2C19EPHX1LMNA
SCHEMBL15219597 0.82 MAPT (0.46) MAPTCYP2D6CYP2C19EPHX1LMNA
SCHEMBL12467406 0.81 MAPT (0.45) MAPTCYP2D6CYP2C19EPHX1LMNA
SCHEMBL12401282 0.77 METAP1 (0.31)
SCHEMBL12401103 0.77 ALDH1A1 (0.37) EPHX1LMNAMMP1MMP8HSD17B10
SCHEMBL12401204 0.74 MMP1 (0.39) MAPTCYP2D6CYP2C19LMNAMMP1
SCHEMBL12401122 0.73 TRPA1 (0.38) MAPTHSD17B10KDM4ETP53POLB

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 MAPT 2629/4885CYP2D6 1605/4885CYP2C19 1191/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 MAPT 2629/4885CYP2D6 1605/4885CYP2C19 1191/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 MAPT 3914/4885CYP2D6 2137/4885CYP2C19 2573/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 MAPT 2613/4885CYP2D6 1338/4885CYP2C19 1096/4885

“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.