SCHEMBL7620522

SCHEMBL7620522

CC(C)C[C@H](OC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CTSK P43235 3/20 0.44
CTSS P25774 1/20 0.44
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
REN P00797 3/20 0.41
MAPK1 P28482 2/20 0.40
JAK2 O60674 1/20 0.40
S1PR4 O95977 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
XBP1 P17861 1/20 0.40
S1PR1 P21453 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 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
SCHEMBL14011507 0.83 LMNA (0.58) MEN1KMT2ANPSR1CTSKCTSS
SCHEMBL28859554 0.83 CTSK (0.53) CTSKCTSSMAPT
SCHEMBL13996047 0.83 LMNA (0.58) MEN1KMT2ANPSR1CTSKCTSS
SCHEMBL13929428 0.83 LMNA (0.58) MEN1KMT2ANPSR1CTSKCTSS
SCHEMBL7609304 0.82 ATM (0.56) CTSKCTSSRENMAPK1
SCHEMBL5862217 0.81 CTSK (0.52) MEN1KMT2ANPSR1CTSKCTSS
SCHEMBL31633773 0.81 CTSK (0.52) MEN1KMT2ANPSR1CTSKCTSS
SCHEMBL1573513 0.81 CTSK (0.52) MEN1KMT2ANPSR1CTSKCTSS
SCHEMBL1783805 0.81 CTSK (0.52) MEN1KMT2ANPSR1CTSKCTSS
SCHEMBL14712709 0.81 MAPT (0.43) CTSKCTSSALDH1A1MAPT

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-20020128185-A1 Pharmaceutical compounds HAWAII, UNIVERSITY OF 2002-09-12 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-20020128185-A1 Pharmaceutical compounds XPO5, XPOT, XPO1 MEN1 45/4885KMT2A 3754/4885NPSR1 3139/4885

“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.