SCHEMBL5386720

SCHEMBL5386720

CC(C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(O)c1ccc(N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.46
PPARA Q07869 1/20 0.41
FAAH O00519 1/20 0.39
IDH1 O75874 5/20 0.38
CNR2 P34972 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B2 P37059 1/20 0.36
GMNN O75496 1/20 0.36
PMP22 Q01453 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5386718 1.00 IL6ST (0.46) IL6STPPARAFAAHIDH1CNR2
SCHEMBL3746780 0.88 IL6ST (0.47) IL6STPPARAFAAHIDH1NPSR1
SCHEMBL3754521 0.88 IL6ST (0.47) IL6STPPARAFAAHIDH1NPSR1
SCHEMBL3754520 0.88 IL6ST (0.47) IL6STPPARAFAAHIDH1NPSR1
SCHEMBL14488726 0.83 HSD17B2 (0.39) CNR2MAPK1NPSR1MEN1KMT2A
SCHEMBL5500159 0.83 IL6ST (0.54) IL6STPPARAFAAHIDH1NAAA
SCHEMBL24418522 0.81 IL6ST (0.52) IL6STPPARAFAAHIDH1NAAA
SCHEMBL3753536 0.81 IL6ST (0.45) IL6STPPARAIDH1NAAA
SCHEMBL5858036 0.81 IL6ST (0.45) IL6STPPARAIDH1MEN1KMT2A
SCHEMBL3753534 0.81 IL6ST (0.45) IL6STPPARAIDH1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235688-B1 Process for preparing histone deacetylase inhibitors and intermediates thereof UNIVERSITY OF NOTRE DAME DU LAC (US) 2007-06-26 US disclosed
US-20070021612-A1 Processes and compounds for preparing histone deacetylase inhibitors and intermediates thereof UNIVERSITY OF NOTRE DAME DU LAC (US) 2007-01-25 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-20070021612-A1 Processes and compounds for preparing histone deacetylase inhibitors and intermediates thereof HDAC1, HDAC11, HDAC2 IL6ST 3481/4885PPARA 920/4885FAAH 788/4885

“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.