SCHEMBL5776699

SCHEMBL5776699

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 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
SCHEMBL5775001 0.92 CCNC (0.42) NOTUMCCNCCDK8L3MBTL1POLB
SCHEMBL5777338 0.90 CCNC (0.41) CCNCCDK8MEN1KMT2AMAPT
SCHEMBL5773927 0.90 CCNC (0.41) NOTUMCCNCCDK8L3MBTL1POLB
SCHEMBL5773362 0.90 CCNC (0.41) NOTUMCCNCCDK8L3MBTL1POLB
SCHEMBL5773378 0.86 CYP11B1 (0.45) CCNCCDK8POLBMAPTNPC1
SCHEMBL5773868 0.85 RXRA (0.53) NOTUMCCNCCDK8RXRARXRB
SCHEMBL5772977 0.84 VEGFA (0.43) CCNCCDK8MEN1KMT2AMAPT
SCHEMBL5776177 0.84 L3MBTL1 (0.43) CCNCCDK8L3MBTL1MEN1KMT2A
SCHEMBL5776982 0.83 MAPK1 (0.44) CCNCCDK8L3MBTL1MEN1KMT2A
SCHEMBL5773992 0.83 CCNC (0.43) CCNCCDK8MEN1KMT2AMAPT

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 NOTUM 617/4885CCNC 3936/4885CDK8 3280/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NOTUM 1237/4885CCNC 3879/4885CDK8 3137/4885

“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.