SCHEMBL17747720

SCHEMBL17747720

O=C(O)C=CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
IDH1 O75874 10/20 0.41
ABCB1 P08183 1/20 0.40
FAAH O00519 1/20 0.40
PPARA Q07869 2/20 0.39
HDAC1 Q13547 2/20 0.38
IL6ST P40189 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL17747717 1.00 NAAA (0.42) NAAAIDH1ABCB1FAAHPPARA
SCHEMBL17747719 1.00 NAAA (0.42) NAAAIDH1ABCB1FAAHPPARA
SCHEMBL5058893 0.88 NAAA (0.44) NAAAIDH1ABCB1FAAHPPARA
SCHEMBL4192293 0.88 NAAA (0.44) NAAAIDH1ABCB1FAAHPPARA
SCHEMBL3963007 0.88 NAAA (0.44) NAAAIDH1ABCB1FAAHPPARA
SCHEMBL5058895 0.88 NAAA (0.44) NAAAIDH1ABCB1FAAHPPARA
SCHEMBL8863773 0.88 NAAA (0.44) NAAAIDH1ABCB1FAAHPPARA
SCHEMBL12999935 0.88 ABCB1 (0.42) NAAAIDH1ABCB1FAAHPPARA
SCHEMBL14175205 0.88 NAAA (0.44) NAAAIDH1ABCB1FAAHPPARA
SCHEMBL3963002 0.88 NAAA (0.44) NAAAIDH1ABCB1FAAHPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 NAAA 2042/4885IDH1 1160/4885ABCB1 58/4885

“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.