SCHEMBL5773868

SCHEMBL5773868

O=C(O)CCc1cnoc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.53
RXRB P28702 7/20 0.53
RXRG P48443 6/20 0.53
PTGS1 P23219 1/20 0.46
EPHX2 P34913 1/20 0.46
PTGS2 P35354 1/20 0.46
TSHR P16473 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
FFAR1 O14842 3/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KMO O15229 1/20 0.38
NR4A2 P43354 1/20 0.38
NOTUM Q6P988 1/20 0.36

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
SCHEMBL5768932 0.90 FFAR1 (0.43) RXRARXRBRXRGTSHRFFAR1
SCHEMBL5774812 0.88 FFAR1 (0.42) RXRARXRBRXRGTSHRFFAR1
SCHEMBL5773380 0.88 FFAR1 (0.45) RXRARXRBRXRGTSHRFFAR1
SCHEMBL5777600 0.88 RXRA (0.42) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5776699 0.85 NOTUM (0.44) RXRARXRBRXRGPTPN2PTPN1
SCHEMBL5772923 0.85 TSHR (0.55) RXRARXRBRXRGTSHRFFAR1
SCHEMBL5773615 0.83 RXRA (0.56) RXRARXRBRXRGTSHRPTPN2
SCHEMBL5770527 0.82 RXRA (0.53) RXRARXRBRXRGTSHRFFAR1
SCHEMBL5774825 0.81 FFAR1 (0.42) TSHRFFAR1CCNCCDK8
SCHEMBL5771560 0.81 SIRT2 (0.40) RXRARXRBRXRGPTGS1EPHX2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US claimed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US claimed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP claimed
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.