SCHEMBL4508780

SCHEMBL4508780

O=C(O)/C=C/c1ccc(CC2CCN(C3CCC(CO)CC3)C2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
RARB P10826 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR2 P41597 3/20 0.33
PTPN11 Q06124 2/20 0.33
NR0B2 Q15466 2/20 0.33
SLC2A1 P11166 1/20 0.33
POLB P06746 2/20 0.33
GPR183 P32249 1/20 0.33
PRMT1 Q99873 1/20 0.33
ESR1 P03372 1/20 0.33
P2RX7 Q99572 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL4519356 0.89 HSD11B1 (0.49) HSD11B1ALDH1A1KMT2AMEN1LMNA
SCHEMBL4519361 0.89 HSD11B1 (0.49) HSD11B1ALDH1A1KMT2AMEN1LMNA
SCHEMBL4522841 0.85 PTPN11 (0.39) HSD11B1ALDH1A1KMT2AMEN1LMNA
SCHEMBL4522833 0.85 PTPN11 (0.39) HSD11B1ALDH1A1KMT2AMEN1LMNA
SCHEMBL2996004 0.82 P2RX7 (0.43) HSD11B1P2RX7
SCHEMBL2992277 0.82 P2RX7 (0.43) HSD11B1P2RX7
SCHEMBL4512383 0.81 HSD11B1 (0.40) HSD11B1ESR1P2RX7
SCHEMBL4513605 0.79 FFAR4 (0.40) HSD11B1ALDH1A1KMT2ACCR2POLB
SCHEMBL13674434 0.77 HSD11B1 (0.42) HSD11B1ALDH1A1POLB
SCHEMBL13675575 0.76 KDM4E (0.37) HSD11B1ALDH1A1CCR2GPR183

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885ALDH1A1 51/4885KMT2A 2379/4885

“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.