SCHEMBL5774673

SCHEMBL5774673

O=C(O)CCc1cnoc1-c1cc(Cl)c(Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.37
HDAC6 Q9UBN7 2/20 0.36
PLAU P00749 1/20 0.35
DAO P14920 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR17 Q13304 1/20 0.34
TSHR P16473 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ABL1 P00519 1/20 0.33
FFAR1 O14842 3/20 0.32
GRIA2 P42262 1/20 0.32
RPS6KB2 Q9UBS0 1/20 0.32
MCL1 Q07820 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL5772072 0.85 RPS6KB2 (0.37) ABL1RPS6KB2
SCHEMBL5773925 0.81 FFAR1 (0.44) SLC22A12HDAC6PLAUNPSR1TSHR
SCHEMBL5770527 0.75 RXRA (0.53) PLAUNPSR1GPR17TSHRRXRA
SCHEMBL5773868 0.75 RXRA (0.53) TSHRRXRARXRBRXRGFFAR1
SCHEMBL5773437 0.74 NPSR1 (0.41) DAONPSR1RXRARXRBRXRG
SCHEMBL5774926 0.74 TP53 (0.44) HDAC6PLAUGPR17TSHRRXRA
SCHEMBL5770707 0.74 RXRA (0.53) HDAC6PLAUGPR17TSHRRXRA
SCHEMBL5772921 0.73 RXRA (0.53) SLC22A12NPSR1RXRARXRBRXRG
SCHEMBL5768932 0.73 FFAR1 (0.43) NPSR1TSHRRXRARXRBRXRG
SCHEMBL5772923 0.72 TSHR (0.55) TSHRRXRARXRBRXRGFFAR1

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 SLC22A12 922/4885HDAC6 1324/4885PLAU 3056/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SLC22A12 1238/4885HDAC6 1224/4885PLAU 2238/4885

“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.