Sugi Predict

Sugi Predict / Compounds / SCHEMBL3908600

SCHEMBL3908600

SCHEMBL3908600

CCOC(=O)c1c(C2CCCCC2)oc(C)c1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ CACNB4 O00305 2/20 0.43
▸ CACNA1A O00555 2/20 0.43
▸ CACNA1G O43497 2/20 0.43
▸ CACNG3 O60359 2/20 0.43
▸ CACNA1F O60840 2/20 0.43
▸ CACNA1H O95180 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ CACNB3 P54284 2/20 0.43
▸ CACNA2D1 P54289 2/20 0.43
▸ CACNG7 P62955 2/20 0.43
▸ CACNA1B Q00975 2/20 0.43
▸ CACNA1D Q01668 2/20 0.43
▸ CACNB1 Q02641 2/20 0.43
▸ CACNG1 Q06432 2/20 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
SCHEMBL13790987 0.76 PRKAA2 (0.41) IDO1PTGDRPTGDR2
SCHEMBL3907291 0.75 GRM6 (0.46) KDM4EL3MBTL1HTTALDH1A1MEN1
SCHEMBL3907147 0.74 ALDH1A1 (0.51) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8126028 0.71 L3MBTL1 (0.41) KDM4EL3MBTL1HTTALDH1A1MEN1
SCHEMBL8126272 0.71 KDM4E (0.41) KDM4EL3MBTL1HTTALDH1A1MEN1
SCHEMBL2646810 0.70 PRKAA2 (0.47) KDM4EL3MBTL1HTTALDH1A1MEN1
SCHEMBL2647009 0.70 GAA (0.42) KDM4EL3MBTL1HTTALDH1A1MEN1
SCHEMBL22730883 0.68 ALDH1A1 (0.60) KDM4EL3MBTL1HTTALDH1A1MEN1
SCHEMBL2662928 0.68 ADORA3 (0.40) KDM4EL3MBTL1HTTALDH1A1MEN1
SCHEMBL31567897 0.67 AR (0.67) KDM4EL3MBTL1HTTALDH1A1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 — — US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 — — 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 (1 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 KDM4E 3120/4885L3MBTL1 1515/4885HTT 3495/4885

“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.