SCHEMBL5576502

SCHEMBL5576502

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
RHEB Q15382 1/20 0.30

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
SCHEMBL5577125 0.89 CCR2 (0.33)
SCHEMBL5577131 0.84 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5RHEB
SCHEMBL5576641 0.79 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5RHEB
SCHEMBL5577104 0.75 KDM4E (0.39) GABRA1GABRG2GABRB3GABRA5
SCHEMBL5234417 0.74 ADORA1 (0.38)
SCHEMBL5576340 0.73 CCR2 (0.46)
SCHEMBL5237348 0.70 DPP4 (0.40)
SCHEMBL5576873 0.69 DPP4 (0.36)
SCHEMBL5235402 0.69 PTGS1 (0.36)
SCHEMBL5233243 0.69 PLA2G2A (0.38)

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.