Sugi Predict

Sugi Predict / Compounds / SCHEMBL2218696

SCHEMBL2218696

SCHEMBL2218696

ONCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.64
▸ IDO1 P14902 1/20 0.64
▸ LTA4H P09960 4/20 0.61
▸ FFAR1 O14842 2/20 0.52
▸ HPGD P15428 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPK14 Q16539 3/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ SRD5A2 P31213 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ NR1H2 P55055 1/20 0.50
▸ BAX Q07812 1/20 0.50

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
SCHEMBL25199821 0.91 THRB (0.53) THRBIDO1LTA4HFFAR1HPGD
SCHEMBL8545423 0.88 SMN1; SMN2 (0.51) THRBIDO1LTA4HFFAR1MEN1
SCHEMBL8497858 0.83 KDM4E (0.67) LTA4HFFAR1EPHX2MEN1POLB
SCHEMBL921682 0.82 SRD5A2 (0.47) THRBIDO1LTA4HMEN1GAA
SCHEMBL27336667 0.82 THRB (0.45) THRBIDO1LTA4HHPGDMEN1
SCHEMBL8549317 0.81 OPRM1 (0.50) THRBIDO1LTA4HHPGDMAPK14
SCHEMBL7756966 0.81 KDM4E (0.70) LTA4HHPGDEPHX2MEN1POLB
SCHEMBL27524787 0.81 ALDH1A1 (0.56) LTA4HFFAR1POLBMAPK14HTT
SCHEMBL208455 0.79 — —
SCHEMBL1108585 0.79 KDM4E (0.61) LTA4HFFAR1EPHX2MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 — — US disclosed
EP-2341776-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-07-13 — — EP disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
WO-2010033626-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-03-25 — — WO disclosed
US-20060020004-A1 Isoxazolidine compounds for treatment of bacterial infections INFINITY PHARMACEUTICALS, INC. (US) 2006-01-26 — — US disclosed
WO-2006009907-A2 ISOXAZOLIDINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS INFINITY PHARMACEUTICALS, INC. (US) 2006-01-26 — — WO 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 (3 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-20060020004-A1 Isoxazolidine compounds for treatment of bacterial infections QDPR, NQO2, SQLE THRB 4549/4885IDO1 5/4885LTA4H 193/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 THRB 1456/4885IDO1 2499/4885LTA4H 665/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 THRB 901/4885IDO1 1447/4885LTA4H 1897/4885

“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.