SCHEMBL5773925

SCHEMBL5773925

O=C(O)CCc1cnoc1-c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
TSHR P16473 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
SLC22A12 Q96S37 2/20 0.36
PDE4B Q07343 3/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5774934 0.84 RPS6KB2 (0.41) FFAR1RPS6KB2KDM4EHPGDPDE4B
SCHEMBL5774673 0.81 SLC22A12 (0.37) FFAR1TSHRRPS6KB2MCL1SLC22A12
SCHEMBL5772111 0.80 F10 (0.37) KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL5774963 0.79 CYP2A6 (0.38) KDM4EHPGDALDH1A1SMN1; SMN2GAA
SCHEMBL5777142 0.77 CYP2A6 (0.39) KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL5772923 0.77 TSHR (0.55) FFAR1TSHRKDM4EHPGDALDH1A1
SCHEMBL5772921 0.75 RXRA (0.53) FFAR1SLC22A12NPSR1MAPTPTGER1
SCHEMBL5774472 0.75 RXRA (0.50) FFAR1TSHRKDM4EHPGDALDH1A1
SCHEMBL5770527 0.74 RXRA (0.53) FFAR1TSHRNPSR1PLAU
SCHEMBL5773868 0.74 RXRA (0.53) FFAR1TSHR

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 FFAR1 178/4885TSHR 534/4885RPS6KB2 3023/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR1 90/4885TSHR 583/4885RPS6KB2 3278/4885

“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.