SCHEMBL4500860

SCHEMBL4500860

CC1(O)CCC(N2CCC(Cc3ccc(OCC(=O)NCc4ccc(C(F)(F)F)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR2 P41597 4/20 0.36
KCNH2 Q12809 4/20 0.36
MCHR1 Q99705 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
IDH1 O75874 2/20 0.35
P2RX7 Q99572 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNA7 P36544 1/20 0.35
TP53 P04637 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
SCHEMBL4508294 0.92 ALDH1A1 (0.43) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL4509276 0.91 ALDH1A1 (0.40) ALDH1A1HPGDGAAKDM4EADAMTS5
SCHEMBL4514699 0.90 MDH1 (0.41) ALDH1A1GAASMN1; SMN2MCHR1IDH1
SCHEMBL5543837 0.87 P2RX7 (0.43) P2RX7
SCHEMBL4502903 0.87 MAPT (0.38) ALDH1A1GAAHSD17B10PPARGSMN1; SMN2
SCHEMBL4510722 0.85 ALDH1A1 (0.47) ALDH1A1HPGDGAAKDM4EGLA
SCHEMBL4504293 0.85 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2
SCHEMBL5547214 0.84 CXCR3 (0.42)
SCHEMBL13674555 0.84 CXCR3 (0.42)
SCHEMBL4511140 0.84 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ECASP1HSD17B10

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 6 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 claimed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP claimed
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 ALDH1A1 51/4885HPGD 63/4885GAA 1261/4885

“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.