SCHEMBL5577131

SCHEMBL5577131

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
CCR2 P41597 1/20 0.35
ABCB11 O95342 1/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KRAS P01116 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
RHEB Q15382 1/20 0.32
TSHR P16473 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
GRM2 Q14416 1/20 0.31
DPP4 P27487 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL5576892 0.90 PDE3B (0.39) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5576340 0.86 CCR2 (0.46) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5576641 0.85 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GAA
SCHEMBL5576502 0.84 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5RHEB
SCHEMBL5576540 0.82 ALDH1A1 (0.35) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5577104 0.81 KDM4E (0.39) GABRA1GABRG2GABRB3GABRA5POLB
SCHEMBL5576492 0.77 MAPK8 (0.37) GAAPOLBNPSR1KRASALDH1A1
Hydrochloric Acid SCHEMBL5577115 0.75 MEN1 (0.37) POLBALDH1A1KDM4E
SCHEMBL5239284 0.74 ESR1 (0.38) GAAPOLBNPSR1MKNK2ALDH1A1
SCHEMBL5239288 0.73 TSHR (0.36) GAAPOLBNPSR1TSHRMKNK2

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 GABRA1 367/4885GABRG2 473/4885GABRB3 279/4885

“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.