SCHEMBL4517112

SCHEMBL4517112

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
EPHX2 P34913 15/20 0.43
EPHX1 P07099 3/20 0.39
CHEK1 O14757 1/20 0.39
HSPA9 P38646 1/20 0.38
LIPE Q05469 1/20 0.37

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
SCHEMBL4517664 0.91 HSD11B1 (0.51) HSD11B1EPHX2CHEK1HSPA9
SCHEMBL4514117 0.88 HSD11B1 (0.54) HSD11B1EPHX2
SCHEMBL4515700 0.88 HSD11B1 (0.54) HSD11B1EPHX2
SCHEMBL5547540 0.88 HSD11B1 (0.51) HSD11B1EPHX2
SCHEMBL4501026 0.87 HSD11B1 (0.48) HSD11B1EPHX2
SCHEMBL4511346 0.87 HSD11B1 (0.51) HSD11B1EPHX2
SCHEMBL4501204 0.85 HSD11B1 (0.56) HSD11B1EPHX2
SCHEMBL4518194 0.85 HSD11B1 (0.54) HSD11B1EPHX2
SCHEMBL13674500 0.84 HSD11B1 (0.55) HSD11B1EPHX2
SCHEMBL4510498 0.84 HSD11B1 (0.51) HSD11B1EPHX2

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 4 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

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 670/4885EPHX1 258/4885

“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.