SCHEMBL4517036

SCHEMBL4517036

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
P2RX7 Q99572 6/20 0.38
S1PR1 P21453 2/20 0.38
EPHX2 P34913 1/20 0.36
ENPP2 Q13822 2/20 0.36
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAOK1 Q7L7X3 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33
ROS1 P08922 1/20 0.33
ALK Q9UM73 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
SCHEMBL4524316 0.92 HSD11B1 (0.47) HSD11B1ALDH1A1GAA
SCHEMBL4501264 0.90 HSD11B1 (0.50) HSD11B1ALDH1A1GAAHTTMEN1
SCHEMBL4505009 0.89 HSD11B1 (0.49) HSD11B1ALDH1A1GAAHTTMEN1
SCHEMBL4502708 0.89 HSD11B1 (0.59) HSD11B1ALDH1A1GAAHTTMEN1
SCHEMBL4515610 0.88 HSD11B1 (0.52) HSD11B1ALDH1A1GAAHTTKMT2A
SCHEMBL4515193 0.87 HSD11B1 (0.51) HSD11B1P2RX7ALDH1A1GAAHTT
SCHEMBL5541273 0.87 HSD11B1 (0.49) HSD11B1P2RX7EPHX2ALDH1A1GAA
SCHEMBL4524136 0.86 HSD11B1 (0.50) HSD11B1P2RX7ALDH1A1GAAHTT
SCHEMBL4514300 0.86 HSD11B1 (0.52) HSD11B1P2RX7EPHX2ALDH1A1GAA
SCHEMBL4518942 0.85 HSD11B1 (0.50) HSD11B1ALDH1A1GAAMEN1KMT2A

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 1/4885P2RX7 3946/4885S1PR1 521/4885

“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.