SCHEMBL4522833

SCHEMBL4522833

CC1(O)CCC(N2CCC(Cc3ccc(/C=C/C(=O)O)cc3Cl)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.36
POLB P06746 2/20 0.36
NR0B2 Q15466 4/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.33
ESR1 P03372 1/20 0.33
CCR2 P41597 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 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
SCHEMBL4522841 1.00 PTPN11 (0.39) PTPN11L3MBTL1HSD11B1POLBNR0B2
SCHEMBL13674562 0.90 KDM4E (0.36) ALDH1A1KCNH2HDAC1CCR2
SCHEMBL4519361 0.88 HSD11B1 (0.49) PTPN11L3MBTL1HSD11B1POLBNR0B2
SCHEMBL4519356 0.88 HSD11B1 (0.49) PTPN11L3MBTL1HSD11B1POLBNR0B2
SCHEMBL4508780 0.85 HSD11B1 (0.37) PTPN11L3MBTL1HSD11B1POLBNR0B2
SCHEMBL3001587 0.83 P2RX7 (0.42) HSD11B1
SCHEMBL3001590 0.83 P2RX7 (0.42) HSD11B1
SCHEMBL13674486 0.83 P2RX7 (0.42) HSD11B1
SCHEMBL4512668 0.82 P2RX7 (0.41) HSD11B1ALDH1A1KMT2AMEN1
SCHEMBL13675575 0.82 KDM4E (0.37) HSD11B1ALDH1A1KCNH2HDAC1CCR2

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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 PTPN11 1035/4885L3MBTL1 3517/4885HSD11B1 1/4885

“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.