SCHEMBL4513244

SCHEMBL4513244

NC(=O)CC1CCC(N2CCC(Cc3c(Cl)cccc3Cl)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
MDM2 Q00987 3/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
PTPN11 Q06124 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP2 Q9UGN5 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4511941 0.90 HSD11B1 (0.46) HSD11B1LMNA
SCHEMBL4511224 0.86 HSD11B1 (0.46) HSD11B1KMT2AALDH1A1LMNAPOLB
SCHEMBL4514730 0.86 KMT2A (0.46) HSD11B1KMT2AMEN1POLBKDM4E
SCHEMBL13674506 0.84 KDM4E (0.44) HSD11B1TP53KMT2AALDH1A1MEN1
SCHEMBL2989122 0.83 HSD11B1 (0.48) HSD11B1KMT2AALDH1A1MEN1LMNA
SCHEMBL2989117 0.83 HSD11B1 (0.48) HSD11B1KMT2AALDH1A1MEN1LMNA
SCHEMBL4514552 0.83 HSD11B1 (0.48) HSD11B1KMT2AALDH1A1MEN1LMNA
SCHEMBL4524626 0.83 EPHX2 (0.46) HSD11B1ALDH1A1LMNASMN1; SMN2
SCHEMBL4523431 0.81 L3MBTL1 (0.49) HSD11B1KMT2AMEN1LMNAPOLB
SCHEMBL4501057 0.81 HSD11B1 (0.42) HSD11B1ALDH1A1LMNAPOLBKDM4E

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 5 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
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
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
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 HSD11B1 1/4885MDM2 4474/4885TP53 3134/4885

“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.