SCHEMBL4514378

SCHEMBL4514378

O=C(COc1ccc(CC2CCN(C34CC5CC(CC(CO)(C5)C3)C4)C2=O)c(Cl)c1)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
PPARG P37231 1/20 0.34
MCHR1 Q99705 6/20 0.34
KCNH2 Q12809 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
CHRNA7 P36544 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
IDH1 O75874 2/20 0.33
ALDH1A1 P00352 4/20 0.33
IDE P14735 1/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4504312 0.84 ALDH1A1 (0.38) PPARGKCNH2ALDH1A1IDEGAA
SCHEMBL14365303 0.83 P2RX7 (0.37) ALDH1A1IDEGAA
SCHEMBL5543748 0.81 S1PR1 (0.34) ALDH1A1IDEHPGD
SCHEMBL4524316 0.79 HSD11B1 (0.47) PPARGMCHR1KCNH2ADAMTS5TDP1
SCHEMBL4500860 0.77 ALDH1A1 (0.39) PPARGMCHR1KCNH2ADAMTS5CHRNA7
SCHEMBL4515943 0.76 P2RX7 (0.36) ALDH1A1IDE
SCHEMBL4515995 0.76 ALDH1A1 (0.36) ALDH1A1IDE
SCHEMBL4501264 0.71 HSD11B1 (0.50) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL4520440 0.71 IDE (0.35) ALDH1A1IDE
SCHEMBL4517036 0.71 HSD11B1 (0.46) ALDH1A1GAA

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 CYP3A4 671/4885PPARG 1163/4885MCHR1 2133/4885

“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.