SCHEMBL12401112

SCHEMBL12401112

C=C(C(NC(=O)OCC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP8 P22894 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRA1A P35348 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL12412303 0.82 MGAM (0.40) SMN1; SMN2LMNAHTTATMMAPK1
SCHEMBL12406929 0.82 HRH3 (0.33) TSHR
SCHEMBL12406967 0.82 KIF11 (0.31)
SCHEMBL8777225 0.80 LMNA (0.40) SMN1; SMN2LMNAHTTATMMAPK1
SCHEMBL8300168 0.80 ATM (0.41) SMN1; SMN2LMNAHTTATMMAPK1
SCHEMBL7765983 0.79 LMNA (0.39) SMN1; SMN2LMNAHTTATMMAPK1
SCHEMBL7765993 0.79 ALOX15 (0.40) SMN1; SMN2LMNAHTTATMMAPK1
SCHEMBL8234485 0.77 MMP3 (0.47) MMP8
SCHEMBL12406925 0.77 HTT (0.36) SMN1; SMN2HTTCYP1A2CYP2C9CYP2C19
SCHEMBL12401107 0.76 CTSK (0.38) LMNACTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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 (1 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 SMN1; SMN2 2156/4885LMNA 2850/4885HTT 3200/4885

“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.