SCHEMBL12239665

SCHEMBL12239665

CC(C)(C)OC(=O)N1CCC[C@H](OCc2ccccc2)[C@H]1CC1CO1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.65
KLK5 Q9Y337 4/20 0.48
HCRTR2 O43614 1/20 0.45
TACR1 P25103 3/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PREP P48147 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL12239673 0.94 KLK7 (0.59) KLK7KLK5HCRTR2KMT2AMEN1
SCHEMBL17674479 0.89 KLK7 (0.63) KLK7KLK5HCRTR2TACR1KMT2A
SCHEMBL21996511 0.82 KLK7 (0.57) KLK7KLK5HCRTR2TACR1KMT2A
SCHEMBL5754951 0.80 KLK7 (0.59) KLK7HCRTR2TACR1KMT2AMEN1
SCHEMBL20444437 0.80 KLK7 (0.57) KLK7KLK5HCRTR2TACR1KMT2A
SCHEMBL5938277 0.79 KLK7 (0.59) KLK7KLK5HCRTR2TACR1KMT2A
SCHEMBL13495419 0.79 KLK7 (0.54) KLK7KLK5HCRTR2TACR1KMT2A
SCHEMBL2983392 0.78 KLK7 (0.53) KLK7KLK5HCRTR2KMT2AMEN1
SCHEMBL31034880 0.78 HCRTR2 (0.53) KLK7HCRTR2TACR1KMT2AMEN1
SCHEMBL29998466 0.77 KLK7 (0.52) KLK7KLK5HCRTR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160317498-A1 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-03 US disclosed
US-20160317498-A1 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-03 US disclosed
US-9284297-B2 Halofuginone analogs for inhibition of tRNA synthetases and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-03-15 US disclosed
US-20110263532-A1 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-10-27 US disclosed
US-20110263532-A1 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-10-27 US disclosed
WO-2010019210-A2 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-02-18 WO 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-20110263532-A1 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF FUCA1, GARS1, AARS1 KLK7 3004/4885KLK5 2391/4885HCRTR2 2669/4885
US-20160317498-A1 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF FUCA1, GARS1, AARS1 KLK7 3004/4885KLK5 2391/4885HCRTR2 2669/4885

“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.