SCHEMBL12239673

SCHEMBL12239673

CC(C)(C)OC(=O)N1CC[C@H](OCc2ccccc2)[C@H]1CC1CO1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.59
KLK5 Q9Y337 5/20 0.43
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
STS P08842 1/20 0.41
HCRTR2 O43614 1/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL12239665 0.94 KLK7 (0.65) KLK7KLK5GAATHRBSMN1; SMN2
SCHEMBL21996511 0.89 KLK7 (0.57) KLK7KLK5CTSVCTSLCTSB
SCHEMBL13495419 0.85 KLK7 (0.54) KLK7KLK5CTSVCTSLCTSB
SCHEMBL2983392 0.84 KLK7 (0.53) KLK7KLK5STSHCRTR2KMT2A
SCHEMBL2984486 0.83 KLK7 (0.56) KLK7CTSVCTSLCTSBCTSS
SCHEMBL17674479 0.82 KLK7 (0.63) KLK7KLK5STSHCRTR2KMT2A
SCHEMBL1150828 0.82 KLK7 (0.55) KLK7SMN1; SMN2CTSVCTSLCTSB
SCHEMBL7698816 0.82 KLK7 (0.55) KLK7SMN1; SMN2CTSVCTSLCTSB
SCHEMBL16732580 0.82 KLK7 (0.55) KLK7SMN1; SMN2CTSVCTSLCTSB
SCHEMBL7511892 0.82 KLK7 (0.55) KLK7SMN1; SMN2CTSVCTSLCTSB

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 5 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

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 2391/4885GAA 193/4885
US-20160317498-A1 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF FUCA1, GARS1, AARS1 KLK7 3004/4885KLK5 2391/4885GAA 193/4885

“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.