SCHEMBL5772667

SCHEMBL5772667

Cc1onc(-c2ccc(Cl)cc2)c1CCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.65
GABRA5 P31644 3/20 0.55
TSHR P16473 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48

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
SCHEMBL5777434 0.84 FFAR4 (0.66) FFAR4GABRA5TSHRGPBAR1MAPT
SCHEMBL5775556 0.83 MAPT (0.56) FFAR4GABRA5GPBAR1MAPT
SCHEMBL2301669 0.80 FFAR4 (0.76) FFAR4GABRA5
SCHEMBL2301689 0.80 FFAR4 (1.00) FFAR4
SCHEMBL2928713 0.79 GABRA5 (0.52) FFAR4GABRA5GPBAR1
SCHEMBL5774888 0.78 CYP2C19 (0.58) GPBAR1MAPTKMT2ARXRARXRB
SCHEMBL5773713 0.77 GABRA5 (0.50) FFAR4GABRA5GPBAR1MAPT
SCHEMBL5744413 0.75 GABRA5 (0.49) FFAR4GABRA5GPBAR1MEN1MAPT
SCHEMBL3548012 0.75 GPBAR1 (0.66) GABRA5TSHRGPBAR1MEN1MAPT
SCHEMBL5777101 0.74 RXRA (0.54) FFAR4GABRA5GPBAR1MAPTRXRA

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 143/4885GABRA5 707/4885TSHR 534/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885GABRA5 991/4885TSHR 583/4885

“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.