SCHEMBL5773437

SCHEMBL5773437

Cc1csc(-c2oncc2CCC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
RXRA P19793 5/20 0.35
RXRB P28702 5/20 0.35
RXRG P48443 3/20 0.35
MCL1 Q07820 1/20 0.34
NR4A2 P43354 1/20 0.34
DAO P14920 1/20 0.34
GRIN2B Q13224 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGDS O60760 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PTGER1 P34995 2/20 0.32
PTGER4 P35408 2/20 0.32
PTGER3 P43115 2/20 0.32
PTGER2 P43116 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL5773242 0.86 CCNC (0.36) GRIN2BKDM4C
SCHEMBL5776658 0.81 GRIN2B (0.30) GRIN2B
SCHEMBL5774114 0.80 GRIN2B (0.32) GRIN2B
SCHEMBL5775817 0.77 GRIN2B (0.32) GRIN2B
SCHEMBL5772507 0.75 RXRA (0.50) NPSR1RXRARXRBRXRGNR4A2
SCHEMBL5774673 0.74 SLC22A12 (0.37) NPSR1RXRARXRBRXRGMCL1
SCHEMBL5773925 0.73 FFAR1 (0.44) NPSR1MCL1PTGER1PTGER4PTGER3
SCHEMBL5773007 0.72 SMN1; SMN2 (0.34) NPSR1SLC6A3ALDH1A1MAPT
SCHEMBL1262878 0.72 NPSR1 (0.50) NPSR1RXRARXRBRXRGL3MBTL1
SCHEMBL5774581 0.71 ALDH1A1 (0.40) ALDH1A1MAPT

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 NPSR1 2939/4885RXRA 445/4885RXRB 494/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NPSR1 3283/4885RXRA 462/4885RXRB 550/4885

“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.