SCHEMBL5777101

SCHEMBL5777101

Cc1onc(-c2cccc(C(F)(F)F)c2)c1CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 2/20 0.54
GPBAR1 Q8TDU6 1/20 0.51
MAPT P10636 1/20 0.50
FFAR1 O14842 4/20 0.48
CTSK P43235 1/20 0.47
FFAR4 Q5NUL3 5/20 0.46
GABRA5 P31644 2/20 0.46
BRD4 O60885 1/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42

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
SCHEMBL27936782 0.88 GPBAR1 (0.53) RXRARXRBRXRGGPBAR1MAPT
SCHEMBL5775556 0.85 MAPT (0.56) GPBAR1MAPTFFAR1FFAR4GABRA5
SCHEMBL13733019 0.79 GPBAR1 (0.64) GPBAR1MAPTBRD4IP6K1IP6K3
SCHEMBL4029417 0.77 GPBAR1 (0.53) GPBAR1MAPTBRD4IP6K1IP6K3
SCHEMBL10833017 0.77 RXRA (0.59) RXRARXRBRXRGFFAR1CTSK
SCHEMBL27918229 0.76 BRD4 (0.50) RXRARXRBRXRGGPBAR1FFAR1
SCHEMBL27936779 0.74 GPBAR1 (0.55) GPBAR1MAPTBRD4IP6K1IP6K3
SCHEMBL11420447 0.74 GPBAR1 (0.61) GPBAR1MAPT
SCHEMBL13734246 0.74 GPBAR1 (0.61) GPBAR1MAPT
SCHEMBL5772667 0.74 FFAR4 (0.65) RXRARXRBRXRGGPBAR1MAPT

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 RXRA 445/4885RXRB 494/4885RXRG 503/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 RXRA 462/4885RXRB 550/4885RXRG 628/4885

“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.