SCHEMBL5774360

SCHEMBL5774360

COc1ccc(-c2oncc2CCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ATM Q13315 1/20 0.57
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
PKM P14618 1/20 0.51
GAA P10253 6/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.49
FFAR1 O14842 4/20 0.48
FFAR4 Q5NUL3 1/20 0.47
HPGD P15428 3/20 0.44
ALOX15 P16050 2/20 0.44
CASP1 P29466 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL5776975 0.88 KMT2A (0.49) LMNAATMKDM4EALDH1A1MAPT
SCHEMBL5772507 0.85 RXRA (0.50) LMNAATMKDM4EALDH1A1MAPT
SCHEMBL5773472 0.83 FFAR4 (0.50) LMNAATMFFAR1FFAR4PPARG
SCHEMBL5773168 0.83 S1PR1 (0.48) LMNAATMKDM4EALDH1A1MAPT
SCHEMBL5774948 0.83 FFAR1 (0.51) LMNAKDM4EALDH1A1MAPTPKM
SCHEMBL5774472 0.83 RXRA (0.50) LMNAKDM4EALDH1A1MAPTPKM
SCHEMBL5772923 0.82 TSHR (0.55) KDM4EALDH1A1MAPTPKMPOLB
SCHEMBL5776861 0.82 PPARA (0.48) LMNAATMKDM4EALDH1A1MAPT
SCHEMBL5773998 0.82 FFAR1 (0.46) LMNAKDM4EALDH1A1MAPTPKM
SCHEMBL5773431 0.81 FFAR4 (0.45) LMNAATMKDM4EALDH1A1MAPT

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 LMNA 2770/4885ATM 2107/4885KDM4E 3953/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885ATM 2206/4885KDM4E 3347/4885

“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.