SCHEMBL5773877

SCHEMBL5773877

OCCCc1cnoc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ABL1 P00519 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL5775742 0.86 DHODH (0.41) DHODHCYP19A1CYP2C9CYP2C19FFAR1
SCHEMBL5773617 0.82 TRPV1 (0.44) HDAC1HDAC2HDAC8MEN1KMT2A
SCHEMBL5772652 0.82 MEN1 (0.52) CYP19A1CYP2C9CYP2C19HDAC1MEN1
SCHEMBL5773472 0.82 FFAR4 (0.50) CYP2C9HDAC3HDAC4HDAC1HDAC7
SCHEMBL5777551 0.80 TDO2 (0.42) CYP19A1CYP2C9CYP2C19HDAC1HDAC2
SCHEMBL5770267 0.79 CCNC (0.42) DHODHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5774918 0.77 CYP19A1 (0.39) CYP19A1CYP2C9CYP2C19HDAC1HDAC2
SCHEMBL5774064 0.77 PPARA (0.42) CYP19A1CYP2C9CYP2C19HDAC3HDAC4
SCHEMBL5773427 0.77 TDO2 (0.42) CYP19A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5776248 0.77 TDO2 (0.45) NOTUMCYP11B1CYP11B2

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 DHODH 1818/4885CYP19A1 117/4885CYP2C9 30/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 DHODH 3464/4885CYP19A1 62/4885CYP2C9 45/4885

“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.