SCHEMBL5576501

SCHEMBL5576501

CCOC(=O)COc1c(C(=O)O)n(CC(C)(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPOX P50336 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TNF P01375 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
POLB P06746 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
SCHEMBL5233243 0.84 PLA2G2A (0.38) GAANPSR1MEN1KMT2AALDH1A1
SCHEMBL5576340 0.82 CCR2 (0.46) GAANPSR1MEN1KMT2AMAPT
SCHEMBL5235402 0.81 PTGS1 (0.36) GAAL3MBTL1NPSR1KMT2AMAPT
SCHEMBL5576633 0.80 CCR2 (0.41) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5239284 0.79 ESR1 (0.38) GAAL3MBTL1NPSR1ALDH1A1CYP1A2
SCHEMBL5239288 0.78 TSHR (0.36) GAAL3MBTL1NPSR1MEN1KMT2A
Oxalic Acid SCHEMBL5576785 0.78 KDM4E (0.46) GAAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5577125 0.76 CCR2 (0.33) GAANPSR1POLB
SCHEMBL6106729 0.76 TNF (0.41) GAAALDH1A1TNF
SCHEMBL5576873 0.75 DPP4 (0.36) GAANPSR1MEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR GAA 4885/4885PKM 4432/4885L3MBTL1 2757/4885

“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.