SCHEMBL5772569

SCHEMBL5772569

COC(=O)CCc1conc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NOTUM Q6P988 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KMO O15229 2/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
POLB P06746 2/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GABRA5 P31644 1/20 0.38
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 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
SCHEMBL5773773 0.90 FFAR4 (0.43) MAPTMEN1KMT2AFFAR4CCNC
SCHEMBL5771218 0.90 FFAR4 (0.41) MAPTMEN1KMT2AFFAR4CCNC
SCHEMBL5776310 0.86 FFAR4 (0.55) FFAR4GABRA5
SCHEMBL5775477 0.85 RXRA (0.53) FFAR4KMORXRARXRBRXRG
SCHEMBL5771214 0.80 FFAR4 (0.39) FFAR4CCNCCDK8GABRA5
SCHEMBL3223595 0.79 AHR (0.38) NOTUMFFAR4KMORXRARXRB
SCHEMBL3228982 0.77 RXRA (0.43) NOTUMFFAR4KMORXRARXRB
SCHEMBL5777368 0.77 SIRT2 (0.40) NOTUMFFAR4KMORXRARXRB
SCHEMBL5776936 0.76 AHR (0.41) MAPTNOTUMKMORXRARXRB
SCHEMBL1362051 0.76 MEN1 (0.46) MAPTMEN1KMT2ANOTUML3MBTL1

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 MAPT 4701/4885MEN1 2811/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885MEN1 2072/4885KMT2A 2906/4885

“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.