SCHEMBL5547231

SCHEMBL5547231

CS(=O)(=O)c1ccc(-c2ccc(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
PTGS2 P35354 14/20 0.40
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
PTGS1 P23219 3/20 0.36
ROCK2 O75116 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL3554331 0.86 HSD11B1 (0.60) HSD11B1ROCK2
SCHEMBL2991762 0.85 HSD11B1 (0.50) HSD11B1ROCK2
SCHEMBL3548235 0.84 HSD11B1 (0.49) HSD11B1ROCK2
Hydrochloric Acid SCHEMBL3880475 0.83 HSD11B1 (0.48) HSD11B1ROCK2
SCHEMBL2993019 0.83 HSD11B1 (0.46) HSD11B1PTGS2PTGS1ROCK2
SCHEMBL2988650 0.82 HSD11B1 (0.50) HSD11B1ROCK2
SCHEMBL3549083 0.82 HSD11B1 (0.47) HSD11B1CHRM1ROCK2
SCHEMBL2993016 0.82 HSD11B1 (0.49) HSD11B1ROCK2
SCHEMBL3545963 0.81 HSD11B1 (0.48) HSD11B1ROCK2
SCHEMBL13266278 0.81 HSD11B1 (0.44) HSD11B1

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 1/4885PTGS2 473/4885CHRM2 4453/4885

“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.