SCHEMBL5773773

SCHEMBL5773773

COC(=O)CCc1conc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 1/20 0.39
GABRA5 P31644 8/20 0.38
RPA1 P27694 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CTSA P10619 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN1 P18031 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL5771218 0.91 FFAR4 (0.41) FFAR4GABRA5MEN1KMT2AMAPT
SCHEMBL5772569 0.90 MAPT (0.46) FFAR4GABRA5MEN1KMT2AMAPT
SCHEMBL5771214 0.86 FFAR4 (0.39) FFAR4GABRA5CCNCCDK8MIF
SCHEMBL5777241 0.86 FFAR4 (0.51) FFAR4RPA1
SCHEMBL5776310 0.86 FFAR4 (0.55) FFAR4GABRA5
SCHEMBL5771839 0.78 SIRT2 (0.40) FFAR4GABRA5RPA1
SCHEMBL5775299 0.78 ADORA2A (0.38) GABRA5RPA1
SCHEMBL5777338 0.77 CCNC (0.41) ALDH1A1RPA1MEN1KMT2AMAPT
SCHEMBL5773644 0.76 FFAR4 (0.48) FFAR4
SCHEMBL5775477 0.74 RXRA (0.53) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR FFAR4 143/4885ALDH1A1 1045/4885GABRA5 707/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885ALDH1A1 682/4885GABRA5 991/4885

“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.