SCHEMBL5774926

SCHEMBL5774926

O=C(O)CCc1cnoc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 3/20 0.44
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
TSHR P16473 1/20 0.41
GPR17 Q13304 1/20 0.39
GCGR P47871 3/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
HPSE Q9Y251 1/20 0.38
PLAU P00749 1/20 0.38
RXRG P48443 1/20 0.38
NR4A2 P43354 1/20 0.38
ALPL P05186 1/20 0.37

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
SCHEMBL5770707 0.90 RXRA (0.53) TP53FFAR1RXRARXRBTSHR
SCHEMBL5773924 0.85 MAPT (0.44) TSHRALPL
SCHEMBL5772921 0.84 RXRA (0.53) FFAR1RXRARXRBRXRGNR4A2
SCHEMBL5776428 0.81 SIRT2 (0.39) SMN1; SMN2ALPL
SCHEMBL5772923 0.81 TSHR (0.55) FFAR1RXRARXRBTSHRFFAR4
SCHEMBL5775506 0.80 AHR (0.36) TP53SMN1; SMN2TSHR
SCHEMBL5773615 0.79 RXRA (0.56) FFAR1RXRARXRBTSHRRXRG
SCHEMBL5770527 0.78 RXRA (0.53) FFAR1RXRARXRBTSHRGPR17
SCHEMBL5773868 0.77 RXRA (0.53) FFAR1RXRARXRBTSHRRXRG
SCHEMBL5774812 0.77 FFAR1 (0.42) FFAR1RXRARXRBTSHRGCGR

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 TP53 4371/4885SMN1; SMN2 3383/4885FFAR1 178/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TP53 4446/4885SMN1; SMN2 2449/4885FFAR1 90/4885

“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.