SCHEMBL5541273

SCHEMBL5541273

O=C(COc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
EPHX2 P34913 8/20 0.39
CYP2C9 P11712 3/20 0.37
CYP2J2 P51589 3/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK8 P45983 1/20 0.37
P2RX7 Q99572 5/20 0.36
FFAR1 O14842 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4514300 0.93 HSD11B1 (0.52) HSD11B1EPHX2MAPK8P2RX7ALDH1A1
SCHEMBL4501264 0.93 HSD11B1 (0.50) HSD11B1ALDH1A1GAA
SCHEMBL4515610 0.91 HSD11B1 (0.52) HSD11B1ALDH1A1GAA
SCHEMBL4515193 0.91 HSD11B1 (0.51) HSD11B1MAPK8P2RX7ALDH1A1GAA
SCHEMBL4505990 0.91 HSD11B1 (0.47) HSD11B1EPHX2CYP2C19P2RX7ALDH1A1
SCHEMBL4502708 0.90 HSD11B1 (0.59) HSD11B1MAPK8ALDH1A1GAA
SCHEMBL4518942 0.89 HSD11B1 (0.50) HSD11B1ALDH1A1GAA
SCHEMBL4505009 0.89 HSD11B1 (0.49) HSD11B1ALDH1A1GAA
SCHEMBL4513448 0.88 HSD11B1 (0.49) HSD11B1EPHX2P2RX7ALDH1A1GAA
SCHEMBL4516875 0.88 HSD11B1 (0.47) HSD11B1ALDH1A1GAA

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 3 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
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 1/4885EPHX2 670/4885CYP2C9 597/4885

“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.