SCHEMBL4500236

SCHEMBL4500236

O=C(O)C=C1CCC(N2CCC(Cc3c(Cl)cccc3Cl)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.44
P2RX7 Q99572 4/20 0.34
SIGMAR1 Q99720 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAPT P10636 1/20 0.32
AKR1B1 P15121 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
SCHEMBL13674504 0.86 ESR2 (0.43) HSD11B1P2RX7ALDH1A1KMT2AMEN1
SCHEMBL4512741 0.83 HSD11B1 (0.49) HSD11B1P2RX7LMNAALDH1A1KMT2A
SCHEMBL4514552 0.80 HSD11B1 (0.48) HSD11B1P2RX7LMNAALDH1A1KMT2A
SCHEMBL2989117 0.80 HSD11B1 (0.48) HSD11B1P2RX7LMNAALDH1A1KMT2A
SCHEMBL2989122 0.80 HSD11B1 (0.48) HSD11B1P2RX7LMNAALDH1A1KMT2A
SCHEMBL4519820 0.80 HSD11B1 (0.48) HSD11B1P2RX7LMNAHTR2CHTR2B
SCHEMBL4511941 0.80 HSD11B1 (0.46) HSD11B1LMNAAKR1B1
SCHEMBL3553955 0.80 HSD11B1 (0.64) HSD11B1SIGMAR1LMNAALDH1A1KMT2A
SCHEMBL4505857 0.78 HSD11B1 (0.44) HSD11B1LMNAALDH1A1KMT2AMEN1
SCHEMBL4511224 0.78 HSD11B1 (0.46) HSD11B1P2RX7LMNAALDH1A1KMT2A

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 1/4885P2RX7 3946/4885SIGMAR1 2409/4885

“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.