SCHEMBL646069

SCHEMBL646069

CC1(C)OCC(C(CC(=O)O)NCc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 1/20 0.40
HCRTR2 O43614 4/20 0.39
LTA4H P09960 1/20 0.39
CACNA1G O43497 1/20 0.38
HCRTR1 O43613 3/20 0.38
HPGD P15428 1/20 0.37
TBXA2R P21731 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL9347312 1.00 TMEM97 (0.41) TMEM97SIGMAR1LMNAHCRTR2LTA4H
SCHEMBL6987664 0.86 SIGMAR1 (0.39) TMEM97SIGMAR1HCRTR2HCRTR1TSHR
SCHEMBL1409902 0.86 TMEM97 (0.37) TMEM97SIGMAR1HCRTR2LTA4HHCRTR1
SCHEMBL13528036 0.79 SIGMAR1 (0.41) TMEM97SIGMAR1HCRTR2LTA4HHCRTR1
SCHEMBL13528035 0.79 SIGMAR1 (0.41) TMEM97SIGMAR1HCRTR2LTA4HHCRTR1
SCHEMBL13528037 0.79 SIGMAR1 (0.41) TMEM97SIGMAR1HCRTR2LTA4HHCRTR1
SCHEMBL31335170 0.79 SIGMAR1 (0.41) TMEM97SIGMAR1HCRTR2LTA4HHCRTR1
SCHEMBL21210139 0.79 SIGMAR1 (0.41) TMEM97SIGMAR1HCRTR2LTA4HHCRTR1
SCHEMBL21210136 0.79 SIGMAR1 (0.41) TMEM97SIGMAR1HCRTR2LTA4HHCRTR1
SCHEMBL6988972 0.74 SIGMAR1 (0.38) TMEM97SIGMAR1HCRTR2HCRTR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 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 (2 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B TMEM97 4247/4885SIGMAR1 2980/4885LMNA 485/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 TMEM97 4407/4885SIGMAR1 3087/4885LMNA 531/4885

“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.