SCHEMBL5576641

SCHEMBL5576641

CC(C)(C)Cn1c(C(=O)OC(C)(C)C)c(O)c2cc(Cl)c(Cl)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KRAS P01116 1/20 0.34
RHEB Q15382 2/20 0.32
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SRC P12931 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
VEGFA P15692 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL5576492 0.89 MAPK8 (0.37) GAAPOLBNPSR1KRASALDH1A1
SCHEMBL5577131 0.85 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GAA
SCHEMBL5576873 0.84 DPP4 (0.36) GAAPOLBNPSR1KRASDPP4
SCHEMBL5234504 0.82 PTGDR2 (0.39) GABRA1GABRG2GABRB3GABRA5
SCHEMBL5236477 0.81 TNF (0.40) GAAPOLBNPSR1CRHBPCRHR2
SCHEMBL6108164 0.79 CRHBP (0.33) GABRA1GABRG2GABRB3GABRA5GAA
SCHEMBL5576502 0.79 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5RHEB
SCHEMBL5576690 0.79 P2RX7 (0.34)
SCHEMBL5577104 0.77 KDM4E (0.39) GABRA1GABRG2GABRB3GABRA5POLB
SCHEMBL5576892 0.75 PDE3B (0.39) GAAPOLBNPSR1ALDH1A1

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.